data_final _audit_creation_method 'SHELXL-2018/3' _shelx_SHELXL_version_number '2018/3' _chemical_name_systematic ? _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Al6 Ca2.12 Cl3.26 K1.14 Na4.20 O25.38 S0.21 Si6' _chemical_formula_weight 1084.90 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Al' 'Al' 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Na' 'Na' 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ca' 'Ca' 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'K' 'K' 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _space_group_crystal_system hexagonal _space_group_IT_number 173 _space_group_name_H-M_alt 'P 63' _space_group_name_Hall 'P 6c' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' _cell_length_a 12.8166(9) _cell_length_b 12.8166(9) _cell_length_c 5.3562(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 761.95(12) _cell_formula_units_Z 1 _cell_measurement_temperature 100(2) _cell_measurement_reflns_used 1723 _cell_measurement_theta_min 3.1725 _cell_measurement_theta_max 35.3393 _exptl_crystal_description 'parallelepiped' _exptl_crystal_colour colourless _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_density_diffrn 2.364 _exptl_crystal_F_000 534 _exptl_transmission_factor_min ? _exptl_transmission_factor_max ? _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.19 _exptl_crystal_size_min 0.15 _exptl_absorpt_coefficient_mu 1.417 _shelx_estimated_absorpt_T_min ? _shelx_estimated_absorpt_T_max ? _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_absorpt_special_details ? _diffrn_ambient_temperature 100(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_source ? _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 2419 _diffrn_reflns_av_unetI/netI 0.0587 _diffrn_reflns_av_R_equivalents 0.0296 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -4 _diffrn_reflns_limit_l_max 7 _diffrn_reflns_theta_min 4.225 _diffrn_reflns_theta_max 28.281 _diffrn_reflns_theta_full 25.242 _diffrn_measured_fraction_theta_max 0.981 _diffrn_measured_fraction_theta_full 0.975 _diffrn_reflns_Laue_measured_fraction_max 0.981 _diffrn_reflns_Laue_measured_fraction_full 0.975 _diffrn_reflns_point_group_measured_fraction_max 0.893 _diffrn_reflns_point_group_measured_fraction_full 0.915 _reflns_number_total 1132 _reflns_number_gt 1007 _reflns_threshold_expression 'I > 2\s(I)' _reflns_Friedel_coverage 0.645 _reflns_Friedel_fraction_max 0.783 _reflns_Friedel_fraction_full 0.839 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. Completness statistics refer to single and composite reflections containing twin component 1 only. ; _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refined as a 2-component inversion twin. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0154P)^2^] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary ? _atom_sites_solution_secondary ? _atom_sites_solution_hydrogens . _refine_ls_hydrogen_treatment undef _refine_ls_extinction_method none _refine_ls_extinction_coef . _refine_ls_abs_structure_details ; Refined as an inversion twin. ; _refine_ls_abs_structure_Flack 0.52(13) _chemical_absolute_configuration ? _refine_ls_number_reflns 1132 _refine_ls_number_parameters 110 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0464 _refine_ls_R_factor_gt 0.0407 _refine_ls_wR_factor_ref 0.0732 _refine_ls_wR_factor_gt 0.0703 _refine_ls_goodness_of_fit_ref 1.075 _refine_ls_restrained_S_all 1.073 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Na1 Na 0.1425(11) 0.2942(10) 0.288(3) 0.022(3) Uani 0.31 1 d . . P . . Ca1 Ca 0.1425(11) 0.2942(10) 0.288(3) 0.022(3) Uani 0.02 1 d . . P . . Na2 Na 0.1737(12) 0.3477(11) 0.282(3) 0.023(3) Uani 0.34 1 d . . P . . Na3 Na 0.1091(7) 0.2248(8) 0.2880(17) 0.0301(17) Uani 0.05 1 d . . P . . K K 0.1091(7) 0.2248(8) 0.2880(17) 0.0301(17) Uani 0.19 1 d . . P . . OW3 O 0.1091(7) 0.2248(8) 0.2880(17) 0.0301(17) Uani 0.09 1 d . . P . . Ca Ca 0.666667 0.333333 0.2167(3) 0.0096(4) Uani 1 3 d S T P . . Cl Cl 0.322(6) 0.6366(17) 0.2210(7) 0.028(3) Uani 0.3333 1 d . . P . . Al1 Al 0.07347(12) 0.41174(12) 0.7606(3) 0.0065(3) Uani 1 1 d . . . . . Si2 Si 0.33174(11) 0.41287(12) 0.7602(3) 0.0077(3) Uani 1 1 d . . . . . O1 O 0.2110(3) 0.4211(3) 0.7152(6) 0.0138(8) Uani 1 1 d . . . . . O2 O 0.1136(3) 0.5617(3) 0.7487(8) 0.0149(7) Uani 1 1 d . . . . . O3 O 0.0109(4) 0.3408(4) 0.0416(5) 0.0149(9) Uani 1 1 d . . . . . O4 O 0.3244(4) 0.3486(4) 0.0250(5) 0.0143(9) Uani 1 1 d . . . . . S S 0.000000 0.000000 0.302(9) 0.077(12) Uiso 0.105 3 d DS . P . . OS O 0.000000 0.000000 0.563(9) 0.077(12) Uiso 0.105 3 d DS . P . . OS1 O 0.893(5) 0.889(4) 0.234(19) 0.10(2) Uiso 0.105 1 d . . P . . Cl1 Cl 0.078(3) 0.130(3) 0.312(6) 0.102(9) Uiso 0.13 1 d . . P . . Cl2 Cl 0.916(6) 1.038(7) 0.005(11) 0.14(2) Uiso 0.08 1 d . . P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Na1 0.008(8) 0.037(8) 0.017(4) 0.001(10) -0.002(6) 0.008(7) Ca1 0.008(8) 0.037(8) 0.017(4) 0.001(10) -0.002(6) 0.008(7) Na2 0.007(6) 0.053(8) 0.009(4) -0.008(8) -0.004(5) 0.015(6) Na3 0.021(4) 0.036(4) 0.036(4) 0.001(4) 0.003(3) 0.016(4) K 0.021(4) 0.036(4) 0.036(4) 0.001(4) 0.003(3) 0.016(4) OW3 0.021(4) 0.036(4) 0.036(4) 0.001(4) 0.003(3) 0.016(4) Ca 0.0106(6) 0.0106(6) 0.0077(10) 0.000 0.000 0.0053(3) Cl 0.053(13) 0.033(8) 0.0071(15) 0.0005(18) 0.002(4) 0.028(14) Al1 0.0063(7) 0.0078(7) 0.0038(6) -0.0002(6) -0.0011(6) 0.0023(6) Si2 0.0092(7) 0.0090(7) 0.0069(6) 0.0013(6) -0.0004(6) 0.0060(6) O1 0.0098(19) 0.016(2) 0.016(2) 0.0020(15) 0.0027(14) 0.0072(16) O2 0.0144(18) 0.0126(19) 0.0169(17) 0.0017(16) 0.0005(16) 0.0061(16) O3 0.019(2) 0.016(2) 0.009(2) -0.0009(13) -0.0023(14) 0.009(2) O4 0.019(2) 0.020(2) 0.006(2) 0.0031(13) -0.0007(13) 0.011(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Na1 Na2 0.598(14) . ? Na1 Na3 0.770(10) . ? Na1 Cl1 1.85(3) . ? Na1 OS1 2.20(7) 3_565 ? Na1 Cl2 2.25(7) 5_455 ? Na1 O3 2.440(16) . ? Na1 O4 2.506(15) . ? Na1 O4 2.674(15) 6 ? Na1 O1 2.688(16) . ? Na1 O3 2.710(15) 5 ? Na1 Cl2 2.98(8) 3_565 ? Na1 Si2 3.139(15) 6_554 ? Na1 Al1 3.209(14) 5_554 ? Na1 OS1 3.22(8) 4_665 ? Na1 S 3.267(12) . ? Na1 Al1 3.285(16) . ? Na1 Si2 3.302(15) . ? Na1 O1 3.377(15) 1_554 ? Na1 Cl2 3.46(7) 1_445 ? Na1 OS 3.48(2) 4_554 ? Na1 Al1 3.517(15) 1_554 ? Na1 Si2 3.535(14) 1_554 ? Na1 OS1 3.54(8) 2_655 ? Na2 Na3 1.365(12) . ? Na2 O4 2.367(17) . ? Na2 O3 2.415(18) . ? Na2 Cl1 2.43(3) . ? Na2 O1 2.460(18) . ? Na2 O3 2.657(18) 5 ? Na2 O4 2.731(17) 6 ? Na2 OS1 2.78(7) 3_565 ? Na2 Cl2 2.79(7) 5_455 ? Na2 Si2 3.110(18) . ? Na2 Al1 3.115(17) 5_554 ? Na2 O1 3.142(19) 1_554 ? Na2 Al1 3.155(18) . ? Na2 Si2 3.171(16) 6_554 ? Na2 Cl 3.22(2) . ? Na2 Si2 3.303(17) 1_554 ? Na2 Al1 3.343(19) 1_554 ? Na2 Cl2 3.43(8) 3_565 ? Na2 OS1 3.63(7) 4_665 ? Na2 Cl 3.70(6) 3_565 ? Na2 Cl 3.77(4) 2_665 ? Na3 Cl1 1.09(3) . ? Na3 OS1 1.51(8) 3_565 ? Na3 Cl2 1.65(7) 5_455 ? Na3 Cl2 2.42(8) 3_565 ? Na3 S 2.497(9) . ? Na3 O3 2.721(9) . ? Na3 OS 2.77(2) 4_554 ? Na3 O4 2.782(9) . ? Na3 OS1 2.79(9) 4_665 ? Na3 OS1 2.86(8) 2_655 ? Na3 Cl2 2.87(7) 1_445 ? Na3 O4 2.887(9) 6 ? Na3 OS 2.90(3) . ? Na3 O3 2.912(10) 5 ? Na3 O1 3.160(10) . ? Na3 Cl1 3.22(3) 6_554 ? Na3 OS1 3.30(10) 4_664 ? Na3 Cl1 3.33(4) 2 ? Na3 Si2 3.344(8) 6_554 ? Na3 Al1 3.398(8) 5_554 ? Na3 Cl2 3.43(7) 4_665 ? Na3 Cl1 3.43(3) 6 ? Ca O2 2.446(4) 5_554 ? Ca O2 2.446(4) 6_654 ? Ca O2 2.446(4) 4_664 ? Ca Cl 2.676(4) 6_654 ? Ca Cl 2.676(4) 5_554 ? Ca Cl 2.676(4) 4_664 ? Ca Cl 2.722(4) 6_655 ? Ca Cl 2.722(4) 4_665 ? Ca Cl 2.722(4) 5 ? Ca O1 2.725(3) 6_654 ? Ca O1 2.725(3) 5_554 ? Ca O1 2.725(3) 4_664 ? Cl Cl 0.58(2) 2_665 ? Cl Cl 0.58(2) 3_565 ? Al1 O1 1.723(4) . ? Al1 O2 1.724(4) . ? Al1 O3 1.734(4) 1_556 ? Al1 O4 1.735(4) 6 ? Si2 O2 1.616(4) 2_665 ? Si2 O4 1.619(3) 1_556 ? Si2 O1 1.621(4) . ? Si2 O3 1.625(4) 5 ? S OS 1.277(14) 4_554 ? S OS 1.401(14) . ? S OS1 1.447(14) 1_445 ? S OS1 1.447(14) 3_565 ? S OS1 1.447(14) 2_655 ? S Cl1 1.45(3) . ? S Cl1 1.45(3) 2 ? S Cl1 1.45(3) 3 ? S Cl2 1.77(7) 5_455 ? S Cl2 1.77(7) 4_665 ? S Cl2 1.77(7) 6_545 ? S Cl2 2.11(7) 2_655 ? OS Cl2 1.43(6) 6_545 ? OS Cl2 1.43(6) 5_455 ? OS Cl2 1.43(6) 4_665 ? OS OS1 1.67(9) 4_665 ? OS OS1 1.67(9) 6_545 ? OS OS1 1.67(9) 5_455 ? OS Cl1 1.97(5) 5 ? OS Cl1 1.97(5) 6 ? OS Cl1 1.97(5) 4 ? OS Cl1 1.98(5) . ? OS1 Cl1 1.03(7) 2_665 ? OS1 Cl2 1.53(11) 6_655 ? OS1 Cl2 1.56(11) 2_765 ? OS1 Cl1 1.90(7) 3_665 ? Cl1 Cl2 1.14(6) 5_455 ? Cl1 Cl2 1.92(6) 3_565 ? Cl2 Cl2 2.41(11) 3_675 ? Cl2 Cl2 2.41(11) 2_765 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Na2 Na1 Na3 173(4) . . ? Na2 Na1 Cl1 167(3) . . ? Na3 Na1 Cl1 7.2(13) . . ? Na2 Na1 OS1 163(4) . 3_565 ? Na3 Na1 OS1 20.7(16) . 3_565 ? Cl1 Na1 OS1 27.8(13) . 3_565 ? Na2 Na1 Cl2 152(4) . 5_455 ? Na3 Na1 Cl2 32.2(18) . 5_455 ? Cl1 Na1 Cl2 30.3(15) . 5_455 ? OS1 Na1 Cl2 40(3) 3_565 5_455 ? Na2 Na1 O3 81(3) . . ? Na3 Na1 O3 103.2(12) . . ? Cl1 Na1 O3 110.4(12) . . ? OS1 Na1 O3 82.9(15) 3_565 . ? Cl2 Na1 O3 111.9(19) 5_455 . ? Na2 Na1 O4 70(3) . . ? Na3 Na1 O4 103.0(13) . . ? Cl1 Na1 O4 100.3(12) . . ? OS1 Na1 O4 113(2) 3_565 . ? Cl2 Na1 O4 125(2) 5_455 . ? O3 Na1 O4 106.8(6) . . ? Na2 Na1 O4 89(3) . 6 ? Na3 Na1 O4 98.2(11) . 6 ? Cl1 Na1 O4 101.5(12) . 6 ? OS1 Na1 O4 85(2) 3_565 6 ? Cl2 Na1 O4 77(2) 5_455 6 ? O3 Na1 O4 61.4(4) . 6 ? O4 Na1 O4 157.8(6) . 6 ? Na2 Na1 O1 62(3) . . ? Na3 Na1 O1 121.6(13) . . ? Cl1 Na1 O1 117.1(12) . . ? OS1 Na1 O1 128(3) 3_565 . ? Cl2 Na1 O1 90.4(17) 5_455 . ? O3 Na1 O1 111.6(6) . . ? O4 Na1 O1 109.5(5) . . ? O4 Na1 O1 63.3(4) 6 . ? Na2 Na1 O3 79(3) . 5 ? Na3 Na1 O3 97.4(12) . 5 ? Cl1 Na1 O3 90.2(12) . 5 ? OS1 Na1 O3 117.9(16) 3_565 5 ? Cl2 Na1 O3 87.4(19) 5_455 5 ? O3 Na1 O3 159.1(5) . 5 ? O4 Na1 O3 64.6(3) . 5 ? O4 Na1 O3 119.2(6) 6 5 ? O1 Na1 O3 58.4(3) . 5 ? Na2 Na1 Cl2 135(3) . 3_565 ? Na3 Na1 Cl2 38.0(16) . 3_565 ? Cl1 Na1 Cl2 38.5(14) . 3_565 ? OS1 Na1 Cl2 46(3) 3_565 3_565 ? Cl2 Na1 Cl2 69(2) 5_455 3_565 ? O3 Na1 Cl2 100.8(13) . 3_565 ? O4 Na1 Cl2 67.3(12) . 3_565 ? O4 Na1 Cl2 131.0(13) 6 3_565 ? O1 Na1 Cl2 146.4(13) . 3_565 ? O3 Na1 Cl2 93.3(13) 5 3_565 ? Na2 Na1 Si2 88(3) . 6_554 ? Na3 Na1 Si2 98.8(11) . 6_554 ? Cl1 Na1 Si2 104.9(11) . 6_554 ? OS1 Na1 Si2 79.2(15) 3_565 6_554 ? Cl2 Na1 Si2 92(2) 5_455 6_554 ? O3 Na1 Si2 30.7(2) . 6_554 ? O4 Na1 Si2 136.4(6) . 6_554 ? O4 Na1 Si2 31.05(18) 6 6_554 ? O1 Na1 Si2 89.7(4) . 6_554 ? O3 Na1 Si2 148.1(6) 5 6_554 ? Cl2 Na1 Si2 116.1(13) 3_565 6_554 ? Na2 Na1 Al1 76(3) . 5_554 ? Na3 Na1 Al1 97.6(12) . 5_554 ? Cl1 Na1 Al1 91.8(12) . 5_554 ? OS1 Na1 Al1 116.3(18) 3_565 5_554 ? Cl2 Na1 Al1 105(2) 5_455 5_554 ? O3 Na1 Al1 138.3(5) . 5_554 ? O4 Na1 Al1 32.48(19) . 5_554 ? O4 Na1 Al1 149.6(6) 6 5_554 ? O1 Na1 Al1 86.3(4) . 5_554 ? O3 Na1 Al1 32.71(17) 5 5_554 ? Cl2 Na1 Al1 74.7(13) 3_565 5_554 ? Si2 Na1 Al1 162.7(4) 6_554 5_554 ? Na2 Na1 OS1 130(4) . 4_665 ? Na3 Na1 OS1 50.6(18) . 4_665 ? Cl1 Na1 OS1 45(2) . 4_665 ? OS1 Na1 OS1 64.7(10) 3_565 4_665 ? Cl2 Na1 OS1 26.3(19) 5_455 4_665 ? O3 Na1 OS1 135.8(12) . 4_665 ? O4 Na1 OS1 113.2(14) . 4_665 ? O4 Na1 OS1 85.5(15) 6 4_665 ? O1 Na1 OS1 72.1(16) . 4_665 ? O3 Na1 OS1 61.9(11) 5 4_665 ? Cl2 Na1 OS1 79(2) 3_565 4_665 ? Si2 Na1 OS1 109.9(13) 6_554 4_665 ? Al1 Na1 OS1 84.8(12) 5_554 4_665 ? Na2 Na1 S 173(3) . . ? Na3 Na1 S 1.3(13) . . ? Cl1 Na1 S 6.7(11) . . ? OS1 Na1 S 21.1(14) 3_565 . ? Cl2 Na1 S 30.9(18) 5_455 . ? O3 Na1 S 103.8(6) . . ? O4 Na1 S 103.8(7) . . ? O4 Na1 S 97.5(5) 6 . ? O1 Na1 S 120.3(10) . . ? O3 Na1 S 96.9(6) 5 . ? Cl2 Na1 S 39.2(14) 3_565 . ? Si2 Na1 S 98.7(3) 6_554 . ? Al1 Na1 S 97.8(4) 5_554 . ? OS1 Na1 S 49.4(18) 4_665 . ? Na2 Na1 Al1 72(3) . . ? Na3 Na1 Al1 114.0(12) . . ? Cl1 Na1 Al1 113.6(12) . . ? OS1 Na1 Al1 109(3) 3_565 . ? Cl2 Na1 Al1 83.4(18) 5_455 . ? O3 Na1 Al1 85.8(4) . . ? O4 Na1 Al1 137.1(5) . . ? O4 Na1 Al1 31.79(19) 6 . ? O1 Na1 Al1 31.56(19) . . ? O3 Na1 Al1 88.9(4) 5 . ? Cl2 Na1 Al1 152.0(12) 3_565 . ? Si2 Na1 Al1 59.3(3) 6_554 . ? Al1 Na1 Al1 117.9(4) 5_554 . ? OS1 Na1 Al1 77.8(17) 4_665 . ? S Na1 Al1 112.9(8) . . ? Na2 Na1 Si2 66(3) . . ? Na3 Na1 Si2 112.9(13) . . ? Cl1 Na1 Si2 106.2(12) . . ? OS1 Na1 Si2 129(2) 3_565 . ? Cl2 Na1 Si2 89.7(17) 5_455 . ? O3 Na1 Si2 137.7(6) . . ? O4 Na1 Si2 86.3(4) . . ? O4 Na1 Si2 91.5(4) 6 . ? O1 Na1 Si2 29.17(17) . . ? O3 Na1 Si2 29.30(17) 5 . ? Cl2 Na1 Si2 121.1(13) 3_565 . ? Si2 Na1 Si2 118.8(5) 6_554 . ? Al1 Na1 Si2 58.4(2) 5_554 . ? OS1 Na1 Si2 64.5(13) 4_665 . ? S Na1 Si2 111.9(8) . . ? Al1 Na1 Si2 60.2(3) . . ? Na2 Na1 O1 62(3) . 1_554 ? Na3 Na1 O1 114.6(13) . 1_554 ? Cl1 Na1 O1 118.3(12) . 1_554 ? OS1 Na1 O1 106(2) 3_565 1_554 ? Cl2 Na1 O1 145.8(17) 5_455 1_554 ? O3 Na1 O1 55.6(3) . 1_554 ? O4 Na1 O1 51.2(3) . 1_554 ? O4 Na1 O1 113.3(5) 6 1_554 ? O1 Na1 O1 123.7(4) . 1_554 ? O3 Na1 O1 112.2(4) 5 1_554 ? Cl2 Na1 O1 81.8(12) 3_565 1_554 ? Si2 Na1 O1 85.4(4) 6_554 1_554 ? Al1 Na1 O1 82.9(3) 5_554 1_554 ? OS1 Na1 O1 159.1(17) 4_665 1_554 ? S Na1 O1 115.9(10) . 1_554 ? Al1 Na1 O1 122.9(4) . 1_554 ? Si2 Na1 O1 121.3(3) . 1_554 ? Na2 Na1 Cl2 146(4) . 1_445 ? Na3 Na1 Cl2 35.5(15) . 1_445 ? Cl1 Na1 Cl2 42.6(14) . 1_445 ? OS1 Na1 Cl2 19(3) 3_565 1_445 ? Cl2 Na1 Cl2 59.4(17) 5_455 1_445 ? O3 Na1 Cl2 68.9(11) . 1_445 ? O4 Na1 Cl2 104.0(12) . 1_445 ? O4 Na1 Cl2 89.5(12) 6 1_445 ? O1 Na1 Cl2 144.3(12) . 1_445 ? O3 Na1 Cl2 130.7(12) 5 1_445 ? Cl2 Na1 Cl2 43(2) 3_565 1_445 ? Si2 Na1 Cl2 74.1(11) 6_554 1_445 ? Al1 Na1 Cl2 117.8(12) 5_554 1_445 ? OS1 Na1 Cl2 83.6(19) 4_665 1_445 ? S Na1 Cl2 36.4(13) . 1_445 ? Al1 Na1 Cl2 118.7(12) . 1_445 ? Si2 Na1 Cl2 147.9(12) . 1_445 ? O1 Na1 Cl2 87.3(12) 1_554 1_445 ? Na2 Na1 OS 156(3) . 4_554 ? Na3 Na1 OS 20.2(13) . 4_554 ? Cl1 Na1 OS 25.0(13) . 4_554 ? OS1 Na1 OS 23(2) 3_565 4_554 ? Cl2 Na1 OS 52.0(17) 5_455 4_554 ? O3 Na1 OS 91.5(6) . 4_554 ? O4 Na1 OS 91.0(7) . 4_554 ? O4 Na1 OS 107.2(5) 6 4_554 ? O1 Na1 OS 141.8(9) . 4_554 ? O3 Na1 OS 107.2(6) 5 4_554 ? Cl2 Na1 OS 23.9(13) 3_565 4_554 ? Si2 Na1 OS 97.2(3) 6_554 4_554 ? Al1 Na1 OS 96.4(4) 5_554 4_554 ? OS1 Na1 OS 70.2(18) 4_665 4_554 ? S Na1 OS 21.5(3) . 4_554 ? Al1 Na1 OS 130.3(7) . 4_554 ? Si2 Na1 OS 129.1(7) . 4_554 ? O1 Na1 OS 94.4(9) 1_554 4_554 ? Cl2 Na1 OS 23.7(11) 1_445 4_554 ? Na2 Na1 Al1 68(3) . 1_554 ? Na3 Na1 Al1 112.3(12) . 1_554 ? Cl1 Na1 Al1 118.8(12) . 1_554 ? OS1 Na1 Al1 96(2) 3_565 1_554 ? Cl2 Na1 Al1 133.0(17) 5_455 1_554 ? O3 Na1 Al1 26.82(19) . 1_554 ? O4 Na1 Al1 80.1(4) . 1_554 ? O4 Na1 Al1 85.9(4) 6 1_554 ? O1 Na1 Al1 120.0(4) . 1_554 ? O3 Na1 Al1 138.2(4) 5 1_554 ? Cl2 Na1 Al1 93.0(12) 3_565 1_554 ? Si2 Na1 Al1 56.7(2) 6_554 1_554 ? Al1 Na1 Al1 111.5(4) 5_554 1_554 ? OS1 Na1 Al1 159.2(12) 4_665 1_554 ? S Na1 Al1 113.4(9) . 1_554 ? Al1 Na1 Al1 103.8(4) . 1_554 ? Si2 Na1 Al1 134.6(4) . 1_554 ? O1 Na1 Al1 28.85(14) 1_554 1_554 ? Cl2 Na1 Al1 77.4(12) 1_445 1_554 ? OS Na1 Al1 94.5(8) 4_554 1_554 ? Na2 Na1 Si2 63(3) . 1_554 ? Na3 Na1 Si2 111.3(13) . 1_554 ? Cl1 Na1 Si2 111.5(12) . 1_554 ? OS1 Na1 Si2 113(3) 3_565 1_554 ? Cl2 Na1 Si2 141.3(19) 5_455 1_554 ? O3 Na1 Si2 82.6(4) . 1_554 ? O4 Na1 Si2 24.24(17) . 1_554 ? O4 Na1 Si2 138.0(5) 6 1_554 ? O1 Na1 Si2 118.3(4) . 1_554 ? O3 Na1 Si2 86.8(3) 5 1_554 ? Cl2 Na1 Si2 73.3(12) 3_565 1_554 ? Si2 Na1 Si2 112.2(4) 6_554 1_554 ? Al1 Na1 Si2 56.1(2) 5_554 1_554 ? OS1 Na1 Si2 136.4(15) 4_665 1_554 ? S Na1 Si2 112.5(9) . 1_554 ? Al1 Na1 Si2 134.7(4) . 1_554 ? Si2 Na1 Si2 103.1(3) . 1_554 ? O1 Na1 Si2 27.00(13) 1_554 1_554 ? Cl2 Na1 Si2 97.4(12) 1_445 1_554 ? OS Na1 Si2 93.7(8) 4_554 1_554 ? Al1 Na1 Si2 55.9(2) 1_554 1_554 ? Na2 Na1 OS1 149(3) . 2_655 ? Na3 Na1 OS1 23.7(11) . 2_655 ? Cl1 Na1 OS1 19.3(15) . 2_655 ? OS1 Na1 OS1 42(2) 3_565 2_655 ? Cl2 Na1 OS1 47(2) 5_455 2_655 ? O3 Na1 OS1 118.9(15) . 2_655 ? O4 Na1 OS1 81.2(9) . 2_655 ? O4 Na1 OS1 120.7(9) 6 2_655 ? O1 Na1 OS1 122.4(17) . 2_655 ? O3 Na1 OS1 79.8(13) 5 2_655 ? Cl2 Na1 OS1 26(2) 3_565 2_655 ? Si2 Na1 OS1 121.6(9) 6_554 2_655 ? Al1 Na1 OS1 74.2(7) 5_554 2_655 ? OS1 Na1 OS1 52.8(11) 4_665 2_655 ? S Na1 OS1 24.1(6) . 2_655 ? Al1 Na1 OS1 128.9(15) . 2_655 ? Si2 Na1 OS1 102.5(15) . 2_655 ? O1 Na1 OS1 107.3(16) 1_554 2_655 ? Cl2 Na1 OS1 50.9(17) 1_445 2_655 ? OS Na1 OS1 27.6(14) 4_554 2_655 ? Al1 Na1 OS1 117.6(17) 1_554 2_655 ? Si2 Na1 OS1 94.6(12) 1_554 2_655 ? Na1 Na2 Na3 4(2) . . ? Na1 Na2 O4 97(3) . . ? Na3 Na2 O4 92.4(11) . . ? Na1 Na2 O3 85(3) . . ? Na3 Na2 O3 87.5(9) . . ? O4 Na2 O3 112.2(8) . . ? Na1 Na2 Cl1 10(3) . . ? Na3 Na2 Cl1 6.3(10) . . ? O4 Na2 Cl1 89.1(10) . . ? O3 Na2 Cl1 93.7(9) . . ? Na1 Na2 O1 106(3) . . ? Na3 Na2 O1 107.9(12) . . ? O4 Na2 O1 123.0(7) . . ? O3 Na2 O1 121.1(7) . . ? Cl1 Na2 O1 105.4(10) . . ? Na1 Na2 O3 89(3) . 5 ? Na3 Na2 O3 86.5(11) . 5 ? O4 Na2 O3 67.3(4) . 5 ? O3 Na2 O3 173.9(6) . 5 ? Cl1 Na2 O3 80.2(9) . 5 ? O1 Na2 O3 61.8(4) . 5 ? Na1 Na2 O4 78(3) . 6 ? Na3 Na2 O4 82.4(9) . 6 ? O4 Na2 O4 171.3(7) . 6 ? O3 Na2 O4 60.8(4) . 6 ? Cl1 Na2 O4 86.3(9) . 6 ? O1 Na2 O4 65.4(4) . 6 ? O3 Na2 O4 119.0(7) 5 6 ? Na1 Na2 OS1 13(3) . 3_565 ? Na3 Na2 OS1 15.3(13) . 3_565 ? O4 Na2 OS1 99.6(19) . 3_565 ? O3 Na2 OS1 72.3(13) . 3_565 ? Cl1 Na2 OS1 21.6(11) . 3_565 ? O1 Na2 OS1 114(2) . 3_565 ? O3 Na2 OS1 101.7(14) 5 3_565 ? O4 Na2 OS1 73.8(18) 6 3_565 ? Na1 Na2 Cl2 22(3) . 5_455 ? Na3 Na2 Cl2 24.5(15) . 5_455 ? O4 Na2 Cl2 109.8(17) . 5_455 ? O3 Na2 Cl2 96.4(15) . 5_455 ? Cl1 Na2 Cl2 23.9(12) . 5_455 ? O1 Na2 Cl2 83.8(14) . 5_455 ? O3 Na2 Cl2 78.4(15) 5 5_455 ? O4 Na2 Cl2 67.5(16) 6 5_455 ? OS1 Na2 Cl2 32(2) 3_565 5_455 ? Na1 Na2 Si2 104(3) . . ? Na3 Na2 Si2 103.2(12) . . ? O4 Na2 Si2 93.3(5) . . ? O3 Na2 Si2 152.1(7) . . ? Cl1 Na2 Si2 98.0(10) . . ? O1 Na2 Si2 31.1(2) . . ? O3 Na2 Si2 31.5(2) 5 . ? O4 Na2 Si2 94.6(5) 6 . ? OS1 Na2 Si2 115.8(17) 3_565 . ? Cl2 Na2 Si2 84.8(14) 5_455 . ? Na1 Na2 Al1 94(3) . 5_554 ? Na3 Na2 Al1 89.8(10) . 5_554 ? O4 Na2 Al1 33.5(2) . 5_554 ? O3 Na2 Al1 145.5(7) . 5_554 ? Cl1 Na2 Al1 84.1(9) . 5_554 ? O1 Na2 Al1 92.4(5) . 5_554 ? O3 Na2 Al1 33.8(2) 5 5_554 ? O4 Na2 Al1 152.5(7) 6 5_554 ? OS1 Na2 Al1 103.3(14) 3_565 5_554 ? Cl2 Na2 Al1 95.2(17) 5_455 5_554 ? Si2 Na2 Al1 61.4(3) . 5_554 ? Na1 Na2 O1 108(3) . 1_554 ? Na3 Na2 O1 106.4(12) . 1_554 ? O4 Na2 O1 55.6(4) . 1_554 ? O3 Na2 O1 59.7(4) . 1_554 ? Cl1 Na2 O1 108.8(10) . 1_554 ? O1 Na2 O1 145.6(5) . 1_554 ? O3 Na2 O1 121.5(6) 5 1_554 ? O4 Na2 O1 119.2(6) 6 1_554 ? OS1 Na2 O1 99(2) 3_565 1_554 ? Cl2 Na2 O1 130.4(13) 5_455 1_554 ? Si2 Na2 O1 137.2(4) . 1_554 ? Al1 Na2 O1 88.3(4) 5_554 1_554 ? Na1 Na2 Al1 97(3) . . ? Na3 Na2 Al1 100.9(10) . . ? O4 Na2 Al1 155.3(6) . . ? O3 Na2 Al1 89.2(5) . . ? Cl1 Na2 Al1 102.0(10) . . ? O1 Na2 Al1 32.9(2) . . ? O3 Na2 Al1 92.7(5) 5 . ? O4 Na2 Al1 33.3(2) 6 . ? OS1 Na2 Al1 98(2) 3_565 . ? Cl2 Na2 Al1 78.2(15) 5_455 . ? Si2 Na2 Al1 63.6(3) . . ? Al1 Na2 Al1 125.0(6) 5_554 . ? O1 Na2 Al1 136.7(6) 1_554 . ? Na1 Na2 Si2 81(3) . 6_554 ? Na3 Na2 Si2 85.1(9) . 6_554 ? O4 Na2 Si2 142.3(8) . 6_554 ? O3 Na2 Si2 30.1(2) . 6_554 ? Cl1 Na2 Si2 91.0(9) . 6_554 ? O1 Na2 Si2 93.2(5) . 6_554 ? O3 Na2 Si2 149.5(7) 5 6_554 ? O4 Na2 Si2 30.70(19) 6 6_554 ? OS1 Na2 Si2 71.2(13) 3_565 6_554 ? Cl2 Na2 Si2 81.9(16) 5_455 6_554 ? Si2 Na2 Si2 124.0(6) . 6_554 ? Al1 Na2 Si2 173.4(5) 5_554 6_554 ? O1 Na2 Si2 88.9(5) 1_554 6_554 ? Al1 Na2 Si2 60.4(3) . 6_554 ? Na1 Na2 Cl 175(3) . . ? Na3 Na2 Cl 175.5(14) . . ? O4 Na2 Cl 85.8(10) . . ? O3 Na2 Cl 89.4(11) . . ? Cl1 Na2 Cl 174.8(15) . . ? O1 Na2 Cl 76.5(4) . . ? O3 Na2 Cl 96.6(11) 5 . ? O4 Na2 Cl 98.9(11) 6 . ? OS1 Na2 Cl 161.7(17) 3_565 . ? Cl2 Na2 Cl 159.6(15) 5_455 . ? Si2 Na2 Cl 81.1(7) . . ? Al1 Na2 Cl 90.9(11) 5_554 . ? O1 Na2 Cl 69.2(3) 1_554 . ? Al1 Na2 Cl 82.3(7) . . ? Si2 Na2 Cl 93.8(12) 6_554 . ? Na1 Na2 Si2 108(3) . 1_554 ? Na3 Na2 Si2 104.7(11) . 1_554 ? O4 Na2 Si2 27.3(2) . 1_554 ? O3 Na2 Si2 88.2(5) . 1_554 ? Cl1 Na2 Si2 103.9(10) . 1_554 ? O1 Na2 Si2 136.4(5) . 1_554 ? O3 Na2 Si2 92.6(5) 5 1_554 ? O4 Na2 Si2 148.1(7) 6 1_554 ? OS1 Na2 Si2 105(2) 3_565 1_554 ? Cl2 Na2 Si2 127.7(15) 5_455 1_554 ? Si2 Na2 Si2 113.2(4) . 1_554 ? Al1 Na2 Si2 59.4(3) 5_554 1_554 ? O1 Na2 Si2 28.99(17) 1_554 1_554 ? Al1 Na2 Si2 154.1(4) . 1_554 ? Si2 Na2 Si2 117.8(6) 6_554 1_554 ? Cl Na2 Si2 71.9(6) . 1_554 ? Na1 Na2 Al1 102(3) . 1_554 ? Na3 Na2 Al1 102.6(11) . 1_554 ? O4 Na2 Al1 85.8(5) . 1_554 ? O3 Na2 Al1 29.9(3) . 1_554 ? Cl1 Na2 Al1 107.7(10) . 1_554 ? O1 Na2 Al1 136.0(6) . 1_554 ? O3 Na2 Al1 152.1(6) 5 1_554 ? O4 Na2 Al1 88.6(5) 6 1_554 ? OS1 Na2 Al1 89.6(16) 3_565 1_554 ? Cl2 Na2 Al1 119.7(14) 5_455 1_554 ? Si2 Na2 Al1 154.3(4) . 1_554 ? Al1 Na2 Al1 118.9(5) 5_554 1_554 ? O1 Na2 Al1 30.62(19) 1_554 1_554 ? Al1 Na2 Al1 111.0(5) . 1_554 ? Si2 Na2 Al1 58.4(3) 6_554 1_554 ? Cl Na2 Al1 73.2(7) . 1_554 ? Si2 Na2 Al1 59.6(3) 1_554 1_554 ? Na1 Na2 Cl2 38(3) . 3_565 ? Na3 Na2 Cl2 33.8(13) . 3_565 ? O4 Na2 Cl2 60.6(11) . 3_565 ? O3 Na2 Cl2 89.8(11) . 3_565 ? Cl1 Na2 Cl2 32.9(11) . 3_565 ? O1 Na2 Cl2 133.5(12) . 3_565 ? O3 Na2 Cl2 84.7(12) 5 3_565 ? O4 Na2 Cl2 112.8(11) 6 3_565 ? OS1 Na2 Cl2 39(2) 3_565 3_565 ? Cl2 Na2 Cl2 56.9(16) 5_455 3_565 ? Si2 Na2 Cl2 113.5(12) . 3_565 ? Al1 Na2 Cl2 69.9(11) 5_554 3_565 ? O1 Na2 Cl2 78.7(11) 1_554 3_565 ? Al1 Na2 Cl2 134.7(11) . 3_565 ? Si2 Na2 Cl2 103.7(11) 6_554 3_565 ? Cl Na2 Cl2 143.0(13) . 3_565 ? Si2 Na2 Cl2 71.1(11) 1_554 3_565 ? Al1 Na2 Cl2 88.4(11) 1_554 3_565 ? Na1 Na2 OS1 42(3) . 4_665 ? Na3 Na2 OS1 42.9(16) . 4_665 ? O4 Na2 OS1 104.0(14) . 4_665 ? O3 Na2 OS1 119.1(11) . 4_665 ? Cl1 Na2 OS1 39.1(19) . 4_665 ? O1 Na2 OS1 67.0(15) . 4_665 ? O3 Na2 OS1 56.1(11) 5 4_665 ? O4 Na2 OS1 76.8(13) 6 4_665 ? OS1 Na2 OS1 54.3(7) 3_565 4_665 ? Cl2 Na2 OS1 23.8(17) 5_455 4_665 ? Si2 Na2 OS1 61.6(13) . 4_665 ? Al1 Na2 OS1 79.5(12) 5_554 4_665 ? O1 Na2 OS1 146.2(16) 1_554 4_665 ? Al1 Na2 OS1 73.6(15) . 4_665 ? Si2 Na2 OS1 99.5(11) 6_554 4_665 ? Cl Na2 OS1 141.6(15) . 4_665 ? Si2 Na2 OS1 129.3(15) 1_554 4_665 ? Al1 Na2 OS1 143.4(13) 1_554 4_665 ? Cl2 Na2 OS1 67.6(19) 3_565 4_665 ? Na1 Na2 Cl 170(3) . 3_565 ? Na3 Na2 Cl 172.5(13) . 3_565 ? O4 Na2 Cl 90.7(4) . 3_565 ? O3 Na2 Cl 85.1(6) . 3_565 ? Cl1 Na2 Cl 178.6(11) . 3_565 ? O1 Na2 Cl 75.8(3) . 3_565 ? O3 Na2 Cl 101.0(5) 5 3_565 ? O4 Na2 Cl 93.6(5) 6 3_565 ? OS1 Na2 Cl 157.3(14) 3_565 3_565 ? Cl2 Na2 Cl 156.8(15) 5_455 3_565 ? Si2 Na2 Cl 83.4(4) . 3_565 ? Al1 Na2 Cl 96.5(4) 5_554 3_565 ? O1 Na2 Cl 70.0(3) 1_554 3_565 ? Al1 Na2 Cl 78.6(3) . 3_565 ? Si2 Na2 Cl 88.2(5) 6_554 3_565 ? Cl Na2 Cl 5.6(14) . 3_565 ? Si2 Na2 Cl 75.5(3) 1_554 3_565 ? Al1 Na2 Cl 70.9(4) 1_554 3_565 ? Cl2 Na2 Cl 146.3(11) 3_565 3_565 ? OS1 Na2 Cl 142.3(15) 4_665 3_565 ? Na1 Na2 Cl 178(3) . 2_665 ? Na3 Na2 Cl 175.7(14) . 2_665 ? O4 Na2 Cl 83.6(8) . 2_665 ? O3 Na2 Cl 92.6(8) . 2_665 ? Cl1 Na2 Cl 171.8(13) . 2_665 ? O1 Na2 Cl 75.7(3) . 2_665 ? O3 Na2 Cl 93.4(7) 5 2_665 ? O4 Na2 Cl 101.4(9) 6 2_665 ? OS1 Na2 Cl 164.7(16) 3_565 2_665 ? Cl2 Na2 Cl 159.4(14) 5_455 2_665 ? Si2 Na2 Cl 78.7(4) . 2_665 ? Al1 Na2 Cl 87.6(8) 5_554 2_665 ? O1 Na2 Cl 70.0(3) 1_554 2_665 ? Al1 Na2 Cl 83.4(6) . 2_665 ? Si2 Na2 Cl 97.1(9) 6_554 2_665 ? Cl Na2 Cl 3.4(18) . 2_665 ? Si2 Na2 Cl 71.0(5) 1_554 2_665 ? Al1 Na2 Cl 75.7(5) 1_554 2_665 ? Cl2 Na2 Cl 141.9(13) 3_565 2_665 ? OS1 Na2 Cl 139.7(14) 4_665 2_665 ? Cl Na2 Cl 8.9(5) 3_565 2_665 ? Na1 Na3 Cl1 168(2) . . ? Na1 Na3 Na2 3.2(16) . . ? Cl1 Na3 Na2 166(2) . . ? Na1 Na3 OS1 149(2) . 3_565 ? Cl1 Na3 OS1 43.3(18) . 3_565 ? Na2 Na3 OS1 151(2) . 3_565 ? Na1 Na3 Cl2 133(2) . 5_455 ? Cl1 Na3 Cl2 43(2) . 5_455 ? Na2 Na3 Cl2 135(3) . 5_455 ? OS1 Na3 Cl2 58(4) 3_565 5_455 ? Na1 Na3 Cl2 130.7(19) . 3_565 ? Cl1 Na3 Cl2 50(2) . 3_565 ? Na2 Na3 Cl2 127.9(18) . 3_565 ? OS1 Na3 Cl2 62(4) 3_565 3_565 ? Cl2 Na3 Cl2 94(3) 5_455 3_565 ? Na1 Na3 S 178.3(17) . . ? Cl1 Na3 S 11.7(18) . . ? Na2 Na3 S 177.3(11) . . ? OS1 Na3 S 31.6(15) 3_565 . ? Cl2 Na3 S 45(2) 5_455 . ? Cl2 Na3 S 50.8(17) 3_565 . ? Na1 Na3 O3 60.8(11) . . ? Cl1 Na3 O3 131.6(18) . . ? Na2 Na3 O3 62.5(9) . . ? OS1 Na3 O3 88.7(17) 3_565 . ? Cl2 Na3 O3 124(3) 5_455 . ? Cl2 Na3 O3 109.0(15) 3_565 . ? S Na3 O3 120.0(7) . . ? Na1 Na3 OS 154.3(16) . 4_554 ? Cl1 Na3 OS 34(2) . 4_554 ? Na2 Na3 OS 152.7(15) . 4_554 ? OS1 Na3 OS 31(3) 3_565 4_554 ? Cl2 Na3 OS 72(2) 5_455 4_554 ? Cl2 Na3 OS 31.0(16) 3_565 4_554 ? S Na3 OS 27.4(3) . 4_554 ? O3 Na3 OS 103.1(7) . 4_554 ? Na1 Na3 O4 61.4(11) . . ? Cl1 Na3 O4 113.7(19) . . ? Na2 Na3 O4 58.2(9) . . ? OS1 Na3 O4 131(4) 3_565 . ? Cl2 Na3 O4 144(3) 5_455 . ? Cl2 Na3 O4 71.8(15) 3_565 . ? S Na3 O4 119.7(7) . . ? O3 Na3 O4 92.3(3) . . ? OS Na3 O4 102.3(7) 4_554 . ? Na1 Na3 OS1 117.1(18) . 4_665 ? Cl1 Na3 OS1 54(3) . 4_665 ? Na2 Na3 OS1 117.6(18) . 4_665 ? OS1 Na3 OS1 84(2) 3_565 4_665 ? Cl2 Na3 OS1 29(2) 5_455 4_665 ? Cl2 Na3 OS1 98(2) 3_565 4_665 ? S Na3 OS1 61(2) . 4_665 ? O3 Na3 OS1 144.5(17) . 4_665 ? OS Na3 OS1 87.8(19) 4_554 4_665 ? O4 Na3 OS1 118.6(13) . 4_665 ? Na1 Na3 OS1 150.1(15) . 2_655 ? Cl1 Na3 OS1 23(3) . 2_655 ? Na2 Na3 OS1 147.0(14) . 2_655 ? OS1 Na3 OS1 58(3) 3_565 2_655 ? Cl2 Na3 OS1 64(3) 5_455 2_655 ? Cl2 Na3 OS1 33(2) 3_565 2_655 ? S Na3 OS1 30.4(9) . 2_655 ? O3 Na3 OS1 136.7(19) . 2_655 ? OS Na3 OS1 34.6(18) 4_554 2_655 ? O4 Na3 OS1 90.9(11) . 2_655 ? OS1 Na3 OS1 64.7(17) 4_665 2_655 ? Na1 Na3 Cl2 135.5(18) . 1_445 ? Cl1 Na3 Cl2 57(2) . 1_445 ? Na2 Na3 Cl2 136.2(18) . 1_445 ? OS1 Na3 Cl2 21(4) 3_565 1_445 ? Cl2 Na3 Cl2 79(3) 5_455 1_445 ? Cl2 Na3 Cl2 53(3) 3_565 1_445 ? S Na3 Cl2 45.7(16) . 1_445 ? O3 Na3 Cl2 75.9(14) . 1_445 ? OS Na3 Cl2 29.2(13) 4_554 1_445 ? O4 Na3 Cl2 113.9(14) . 1_445 ? OS1 Na3 Cl2 104(2) 4_665 1_445 ? OS1 Na3 Cl2 64(2) 2_655 1_445 ? Na1 Na3 O4 66.5(11) . 6 ? Cl1 Na3 O4 118.7(18) . 6 ? Na2 Na3 O4 69.7(9) . 6 ? OS1 Na3 O4 92(3) 3_565 6 ? Cl2 Na3 O4 80(3) 5_455 6 ? Cl2 Na3 O4 151.7(15) 3_565 6 ? S Na3 O4 112.6(6) . 6 ? O3 Na3 O4 55.57(18) . 6 ? OS Na3 O4 123.3(4) 4_554 6 ? O4 Na3 O4 127.4(3) . 6 ? OS1 Na3 O4 90.0(18) 4_665 6 ? OS1 Na3 O4 141.5(12) 2_655 6 ? Cl2 Na3 O4 98.4(13) 1_445 6 ? Na1 Na3 OS 149.4(15) . . ? Cl1 Na3 OS 26(2) . . ? Na2 Na3 OS 150.7(15) . . ? OS1 Na3 OS 50(3) 3_565 . ? Cl2 Na3 OS 18(2) 5_455 . ? Cl2 Na3 OS 76.0(17) 3_565 . ? S Na3 OS 28.9(4) . . ? O3 Na3 OS 131.7(4) . . ? OS Na3 OS 56.32(19) 4_554 . ? O4 Na3 OS 132.2(4) . . ? OS1 Na3 OS 34.2(16) 4_665 . ? OS1 Na3 OS 46.0(16) 2_655 . ? Cl2 Na3 OS 69.7(16) 1_445 . ? O4 Na3 OS 96.8(6) 6 . ? Na1 Na3 O3 67.4(11) . 5 ? Cl1 Na3 O3 100.3(18) . 5 ? Na2 Na3 O3 65.6(10) . 5 ? OS1 Na3 O3 143.2(18) 3_565 5 ? Cl2 Na3 O3 94(2) 5_455 5 ? Cl2 Na3 O3 101.6(15) 3_565 5 ? S Na3 O3 111.9(7) . 5 ? O3 Na3 O3 128.1(3) . 5 ? OS Na3 O3 123.4(4) 4_554 5 ? O4 Na3 O3 58.72(18) . 5 ? OS1 Na3 O3 65.3(11) 4_665 5 ? OS1 Na3 O3 89.5(15) 2_655 5 ? Cl2 Na3 O3 152.6(13) 1_445 5 ? O4 Na3 O3 106.4(3) 6 5 ? OS Na3 O3 95.5(6) . 5 ? Na1 Na3 O1 46.4(11) . . ? Cl1 Na3 O1 125.5(18) . . ? Na2 Na3 O1 47.8(10) . . ? OS1 Na3 O1 138(4) 3_565 . ? Cl2 Na3 O1 88(2) 5_455 . ? Cl2 Na3 O1 152.8(15) 3_565 . ? S Na3 O1 131.9(12) . . ? O3 Na3 O1 92.1(3) . . ? OS Na3 O1 159.3(10) 4_554 . ? O4 Na3 O1 90.9(3) . . ? OS1 Na3 O1 71.8(16) 4_665 . ? OS1 Na3 O1 131(2) 2_655 . ? Cl2 Na3 O1 152.5(13) 1_445 . ? O4 Na3 O1 55.26(18) 6 . ? OS Na3 O1 103.0(9) . . ? O3 Na3 O1 51.24(18) 5 . ? Na1 Na3 Cl1 119.9(13) . 6_554 ? Cl1 Na3 Cl1 70.8(18) . 6_554 ? Na2 Na3 Cl1 119.7(13) . 6_554 ? OS1 Na3 Cl1 42(4) 3_565 6_554 ? Cl2 Na3 Cl1 99(2) 5_455 6_554 ? Cl2 Na3 Cl1 48.3(16) 3_565 6_554 ? S Na3 Cl1 61.6(12) . 6_554 ? O3 Na3 Cl1 66.4(6) . 6_554 ? OS Na3 Cl1 37.6(10) 4_554 6_554 ? O4 Na3 Cl1 95.4(7) . 6_554 ? OS1 Na3 Cl1 122.4(16) 4_665 6_554 ? OS1 Na3 Cl1 70(2) 2_655 6_554 ? Cl2 Na3 Cl1 20.5(13) 1_445 6_554 ? O4 Na3 Cl1 105.0(6) 6 6_554 ? OS Na3 Cl1 88.4(10) . 6_554 ? O3 Na3 Cl1 147.6(6) 5 6_554 ? O1 Na3 Cl1 157.8(6) . 6_554 ? Na1 Na3 OS1 112.7(14) . 4_664 ? Cl1 Na3 OS1 72(2) . 4_664 ? Na2 Na3 OS1 110.7(13) . 4_664 ? OS1 Na3 OS1 66(4) 3_565 4_664 ? Cl2 Na3 OS1 114(2) 5_455 4_664 ? Cl2 Na3 OS1 25.6(18) 3_565 4_664 ? S Na3 OS1 69.0(12) . 4_664 ? O3 Na3 OS1 84.3(15) . 4_664 ? OS Na3 OS1 42.5(9) 4_554 4_664 ? O4 Na3 OS1 65.3(6) . 4_664 ? OS1 Na3 OS1 123(3) 4_665 4_664 ? OS1 Na3 OS1 58.3(18) 2_655 4_664 ? Cl2 Na3 OS1 49.1(16) 1_445 4_664 ? O4 Na3 OS1 135.6(15) 6 4_664 ? OS Na3 OS1 97.2(11) . 4_664 ? O3 Na3 OS1 113.9(12) 5 4_664 ? O1 Na3 OS1 155.7(4) . 4_664 ? Cl1 Na3 OS1 33.9(11) 6_554 4_664 ? Na1 Na3 Cl1 156.0(13) . 2 ? Cl1 Na3 Cl1 34(2) . 2 ? Na2 Na3 Cl1 158.9(12) . 2 ? OS1 Na3 Cl1 14(3) 3_565 2 ? Cl2 Na3 Cl1 44(2) 5_455 2 ? Cl2 Na3 Cl1 66.6(16) 3_565 2 ? S Na3 Cl1 23.8(5) . 2 ? O3 Na3 Cl1 99.8(7) . 2 ? OS Na3 Cl1 36.2(9) 4_554 2 ? O4 Na3 Cl1 138.4(6) . 2 ? OS1 Na3 Cl1 69.4(14) 4_665 2 ? OS1 Na3 Cl1 53.9(9) 2_655 2 ? Cl2 Na3 Cl1 35.1(13) 1_445 2 ? O4 Na3 Cl1 91.2(6) 6 2 ? OS Na3 Cl1 36.2(9) . 2 ? O3 Na3 Cl1 131.0(6) 5 2 ? O1 Na3 Cl1 127.8(6) . 2 ? Cl1 Na3 Cl1 55.4(5) 6_554 2 ? OS1 Na3 Cl1 76.5(7) 4_664 2 ? Na1 Na3 Si2 68.1(11) . 6_554 ? Cl1 Na3 Si2 122.3(18) . 6_554 ? Na2 Na3 Si2 70.9(9) . 6_554 ? OS1 Na3 Si2 82.3(19) 3_565 6_554 ? Cl2 Na3 Si2 98(3) 5_455 6_554 ? Cl2 Na3 Si2 127.8(15) 3_565 6_554 ? S Na3 Si2 111.8(3) . 6_554 ? O3 Na3 Si2 28.80(12) . 6_554 ? OS Na3 Si2 108.3(3) 4_554 6_554 ? O4 Na3 Si2 117.5(3) . 6_554 ? OS1 Na3 Si2 115.7(17) 4_665 6_554 ? OS1 Na3 Si2 140.5(12) 2_655 6_554 ? Cl2 Na3 Si2 79.4(13) 1_445 6_554 ? O4 Na3 Si2 28.95(10) 6 6_554 ? OS Na3 Si2 110.0(3) . 6_554 ? O3 Na3 Si2 128.0(3) 5 6_554 ? O1 Na3 Si2 78.6(2) . 6_554 ? Cl1 Na3 Si2 79.6(6) 6_554 6_554 ? OS1 Na3 Si2 107.1(15) 4_664 6_554 ? Cl1 Na3 Si2 88.1(6) 2 6_554 ? Na1 Na3 Al1 69.4(11) . 5_554 ? Cl1 Na3 Al1 100.5(18) . 5_554 ? Na2 Na3 Al1 66.5(9) . 5_554 ? OS1 Na3 Al1 138(3) 3_565 5_554 ? Cl2 Na3 Al1 115(3) 5_455 5_554 ? Cl2 Na3 Al1 78.5(15) 3_565 5_554 ? S Na3 Al1 110.8(3) . 5_554 ? O3 Na3 Al1 119.1(3) . 5_554 ? OS Na3 Al1 107.5(3) 4_554 5_554 ? O4 Na3 Al1 30.59(11) . 5_554 ? OS1 Na3 Al1 88.3(12) 4_665 5_554 ? OS1 Na3 Al1 81.1(10) 2_655 5_554 ? Cl2 Na3 Al1 131.3(13) 1_445 5_554 ? O4 Na3 Al1 129.1(3) 6 5_554 ? OS Na3 Al1 109.1(3) . 5_554 ? O3 Na3 Al1 30.68(11) 5 5_554 ? O1 Na3 Al1 76.2(2) . 5_554 ? Cl1 Na3 Al1 118.3(6) 6_554 5_554 ? OS1 Na3 Al1 84.5(11) 4_664 5_554 ? Cl1 Na3 Al1 134.6(6) 2 5_554 ? Si2 Na3 Al1 137.1(3) 6_554 5_554 ? Na1 Na3 Cl2 149.2(17) . 4_665 ? Cl1 Na3 Cl2 18.6(18) . 4_665 ? Na2 Na3 Cl2 147.9(17) . 4_665 ? OS1 Na3 Cl2 61(2) 3_565 4_665 ? Cl2 Na3 Cl2 40(3) 5_455 4_665 ? Cl2 Na3 Cl2 59.2(13) 3_565 4_665 ? S Na3 Cl2 29.8(14) . 4_665 ? O3 Na3 Cl2 149.5(13) . 4_665 ? OS Na3 Cl2 51.3(14) 4_554 4_665 ? O4 Na3 Cl2 108.1(11) . 4_665 ? OS1 Na3 Cl2 39(2) 4_665 4_665 ? OS1 Na3 Cl2 26(2) 2_655 4_665 ? Cl2 Na3 Cl2 75.1(13) 1_445 4_665 ? O4 Na3 Cl2 120.1(10) 6 4_665 ? OS Na3 Cl2 24.3(11) . 4_665 ? O3 Na3 Cl2 82.4(13) 5 4_665 ? O1 Na3 Cl2 109.6(12) . 4_665 ? Cl1 Na3 Cl2 88.7(12) 6_554 4_665 ? OS1 Na3 Cl2 84.0(16) 4_664 4_665 ? Cl1 Na3 Cl2 50.0(12) 2 4_665 ? Si2 Na3 Cl2 133.7(11) 6_554 4_665 ? Al1 Na3 Cl2 87.7(12) 5_554 4_665 ? Na1 Na3 Cl1 117.9(13) . 6 ? Cl1 Na3 Cl1 60.3(19) . 6 ? Na2 Na3 Cl1 120.2(12) . 6 ? OS1 Na3 Cl1 66(4) 3_565 6 ? Cl2 Na3 Cl1 17(2) 5_455 6 ? Cl2 Na3 Cl1 110.5(16) 3_565 6 ? S Na3 Cl1 60.5(11) . 6 ? O3 Na3 Cl1 112.4(6) . 6 ? OS Na3 Cl1 86.2(10) 4_554 6 ? O4 Na3 Cl1 151.5(7) . 6 ? OS1 Na3 Cl1 33.6(13) 4_665 6 ? OS1 Na3 Cl1 80.8(16) 2_655 6 ? Cl2 Na3 Cl1 86.8(14) 1_445 6 ? O4 Na3 Cl1 63.7(6) 6 6 ? OS Na3 Cl1 35.0(8) . 6 ? O3 Na3 Cl1 93.7(6) 5 6 ? O1 Na3 Cl1 74.9(6) . 6 ? Cl1 Na3 Cl1 107.1(10) 6_554 6 ? OS1 Na3 Cl1 128.6(6) 4_664 6 ? Cl1 Na3 Cl1 53.5(5) 2 6 ? Si2 Na3 Cl1 84.3(6) 6_554 6 ? Al1 Na3 Cl1 120.9(6) 5_554 6 ? Cl2 Na3 Cl1 56.5(11) 4_665 6 ? O2 Ca O2 119.51(3) 5_554 6_654 ? O2 Ca O2 119.51(3) 5_554 4_664 ? O2 Ca O2 119.51(3) 6_654 4_664 ? O2 Ca Cl 101.2(5) 5_554 6_654 ? O2 Ca Cl 91.4(14) 6_654 6_654 ? O2 Ca Cl 89.5(9) 4_664 6_654 ? O2 Ca Cl 91.4(14) 5_554 5_554 ? O2 Ca Cl 89.5(10) 6_654 5_554 ? O2 Ca Cl 101.2(5) 4_664 5_554 ? Cl Ca Cl 12.5(4) 6_654 5_554 ? O2 Ca Cl 89.5(10) 5_554 4_664 ? O2 Ca Cl 101.2(5) 6_654 4_664 ? O2 Ca Cl 91.4(14) 4_664 4_664 ? Cl Ca Cl 12.5(4) 6_654 4_664 ? Cl Ca Cl 12.5(4) 5_554 4_664 ? O2 Ca Cl 93.0(4) 5_554 6_655 ? O2 Ca Cl 83.4(14) 6_654 6_655 ? O2 Ca Cl 81.5(9) 4_664 6_655 ? Cl Ca Cl 165.7(5) 6_654 6_655 ? Cl Ca Cl 172.8(2) 5_554 6_655 ? Cl Ca Cl 172.8(2) 4_664 6_655 ? O2 Ca Cl 81.5(9) 5_554 4_665 ? O2 Ca Cl 93.0(4) 6_654 4_665 ? O2 Ca Cl 83.4(14) 4_664 4_665 ? Cl Ca Cl 172.8(2) 6_654 4_665 ? Cl Ca Cl 172.8(2) 5_554 4_665 ? Cl Ca Cl 165.7(5) 4_664 4_665 ? Cl Ca Cl 12.3(4) 6_655 4_665 ? O2 Ca Cl 83.4(14) 5_554 5 ? O2 Ca Cl 81.5(9) 6_654 5 ? O2 Ca Cl 93.0(4) 4_664 5 ? Cl Ca Cl 172.8(2) 6_654 5 ? Cl Ca Cl 165.7(5) 5_554 5 ? Cl Ca Cl 172.8(2) 4_664 5 ? Cl Ca Cl 12.3(4) 6_655 5 ? Cl Ca Cl 12.3(4) 4_665 5 ? O2 Ca O1 175.83(14) 5_554 6_654 ? O2 Ca O1 61.68(11) 6_654 6_654 ? O2 Ca O1 58.51(11) 4_664 6_654 ? Cl Ca O1 82.7(4) 6_654 6_654 ? Cl Ca O1 92.6(14) 5_554 6_654 ? Cl Ca O1 94.2(10) 4_664 6_654 ? Cl Ca O1 83.1(4) 6_655 6_654 ? Cl Ca O1 94.5(10) 4_665 6_654 ? Cl Ca O1 92.9(13) 5 6_654 ? O2 Ca O1 61.68(11) 5_554 5_554 ? O2 Ca O1 58.51(11) 6_654 5_554 ? O2 Ca O1 175.83(14) 4_664 5_554 ? Cl Ca O1 94.2(10) 6_654 5_554 ? Cl Ca O1 82.7(4) 5_554 5_554 ? Cl Ca O1 92.6(14) 4_664 5_554 ? Cl Ca O1 94.5(10) 6_655 5_554 ? Cl Ca O1 92.9(13) 4_665 5_554 ? Cl Ca O1 83.1(4) 5 5_554 ? O1 Ca O1 119.999(1) 6_654 5_554 ? O2 Ca O1 58.51(11) 5_554 4_664 ? O2 Ca O1 175.83(14) 6_654 4_664 ? O2 Ca O1 61.68(11) 4_664 4_664 ? Cl Ca O1 92.6(14) 6_654 4_664 ? Cl Ca O1 94.2(10) 5_554 4_664 ? Cl Ca O1 82.7(4) 4_664 4_664 ? Cl Ca O1 92.9(13) 6_655 4_664 ? Cl Ca O1 83.1(4) 4_665 4_664 ? Cl Ca O1 94.5(10) 5 4_664 ? O1 Ca O1 119.999(2) 6_654 4_664 ? O1 Ca O1 119.999(2) 5_554 4_664 ? Cl Cl Cl 60.00(2) 2_665 3_565 ? Cl Cl Ca 83.7(2) 2_665 4_665 ? Cl Cl Ca 83.7(2) 3_565 4_665 ? Cl Cl Ca 83.9(2) 2_665 4_664 ? Cl Cl Ca 83.9(2) 3_565 4_664 ? Ca Cl Ca 165.7(5) 4_665 4_664 ? Cl Cl Na2 157(10) 2_665 . ? Cl Cl Na2 141(10) 3_565 . ? Ca Cl Na2 91.4(5) 4_665 . ? Ca Cl Na2 102.8(6) 4_664 . ? Cl Cl Na2 33(10) 2_665 2_665 ? Cl Cl Na2 93(10) 3_565 2_665 ? Ca Cl Na2 81.7(13) 4_665 2_665 ? Ca Cl Na2 91.8(14) 4_664 2_665 ? Na2 Cl Na2 124.6(14) . 2_665 ? Cl Cl Na2 79(10) 2_665 3_565 ? Cl Cl Na2 19(10) 3_565 3_565 ? Ca Cl Na2 80.3(8) 4_665 3_565 ? Ca Cl Na2 90.2(9) 4_664 3_565 ? Na2 Cl Na2 122.4(18) . 3_565 ? Na2 Cl Na2 110.4(5) 2_665 3_565 ? Cl Cl Na1 158(10) 2_665 . ? Cl Cl Na1 141(10) 3_565 . ? Ca Cl Na1 91.7(5) 4_665 . ? Ca Cl Na1 102.4(5) 4_664 . ? Na2 Cl Na1 0.8(5) . . ? Na2 Cl Na1 125.4(13) 2_665 . ? Na2 Cl Na1 121.7(17) 3_565 . ? Cl Cl Na1 34(10) 2_665 2_665 ? Cl Cl Na1 94(10) 3_565 2_665 ? Ca Cl Na1 82.1(13) 4_665 2_665 ? Ca Cl Na1 91.7(14) 4_664 2_665 ? Na2 Cl Na1 123.3(14) . 2_665 ? Na2 Cl Na1 1.4(4) 2_665 2_665 ? Na2 Cl Na1 111.9(7) 3_565 2_665 ? Na1 Cl Na1 124.1(12) . 2_665 ? Cl Cl Na1 78(10) 2_665 3_565 ? Cl Cl Na1 19(10) 3_565 3_565 ? Ca Cl Na1 80.5(8) 4_665 3_565 ? Ca Cl Na1 90.0(9) 4_664 3_565 ? Na2 Cl Na1 122.6(18) . 3_565 ? Na2 Cl Na1 110.3(5) 2_665 3_565 ? Na2 Cl Na1 0.3(5) 3_565 3_565 ? Na1 Cl Na1 122.0(16) . 3_565 ? Na1 Cl Na1 111.7(4) 2_665 3_565 ? Cl Cl Na3 158(10) 2_665 . ? Cl Cl Na3 141(10) 3_565 . ? Ca Cl Na3 92.7(4) 4_665 . ? Ca Cl Na3 101.5(5) 4_664 . ? Na2 Cl Na3 1.3(4) . . ? Na2 Cl Na3 125.1(11) 2_665 . ? Na2 Cl Na3 122.3(16) 3_565 . ? Na1 Cl Na3 1.0(2) . . ? Na1 Cl Na3 123.8(10) 2_665 . ? Na1 Cl Na3 122.5(14) 3_565 . ? O1 Al1 O2 101.10(18) . . ? O1 Al1 O3 110.36(19) . 1_556 ? O2 Al1 O3 114.7(2) . 1_556 ? O1 Al1 O4 109.0(2) . 6 ? O2 Al1 O4 114.2(2) . 6 ? O3 Al1 O4 107.32(18) 1_556 6 ? O1 Al1 Na2 125.4(2) . 6 ? O2 Al1 Na2 133.1(3) . 6 ? O3 Al1 Na2 58.5(4) 1_556 6 ? O4 Al1 Na2 48.9(4) 6 6 ? O1 Al1 Na2 50.8(3) . . ? O2 Al1 Na2 109.1(3) . . ? O3 Al1 Na2 135.3(3) 1_556 . ? O4 Al1 Na2 59.8(3) 6 . ? Na2 Al1 Na2 97.0(4) 6 . ? O1 Al1 Na1 114.8(3) . 6 ? O2 Al1 Na1 143.8(3) . 6 ? O3 Al1 Na1 57.6(3) 1_556 6 ? O4 Al1 Na1 50.9(3) 6 6 ? Na2 Al1 Na1 10.7(3) 6 6 ? Na2 Al1 Na1 91.3(4) . 6 ? O1 Al1 Na1 54.7(3) . . ? O2 Al1 Na1 119.0(3) . . ? O3 Al1 Na1 126.0(3) 1_556 . ? O4 Al1 Na1 54.3(3) 6 . ? Na2 Al1 Na1 87.4(4) 6 . ? Na2 Al1 Na1 10.4(2) . . ? Na1 Al1 Na1 81.1(4) 6 . ? O1 Al1 Ca 55.34(12) . 4_665 ? O2 Al1 Ca 45.96(12) . 4_665 ? O3 Al1 Ca 123.58(14) 1_556 4_665 ? O4 Al1 Ca 129.10(14) 6 4_665 ? Na2 Al1 Ca 177.8(3) 6 4_665 ? Na2 Al1 Ca 81.91(19) . 4_665 ? Na1 Al1 Ca 170.2(2) 6 4_665 ? Na1 Al1 Ca 91.67(19) . 4_665 ? O1 Al1 Na2 68.3(3) . 1_556 ? O2 Al1 Na2 111.5(3) . 1_556 ? O3 Al1 Na2 44.0(3) 1_556 1_556 ? O4 Al1 Na2 133.7(3) 6 1_556 ? Na2 Al1 Na2 93.3(4) 6 1_556 ? Na2 Al1 Na2 111.0(5) . 1_556 ? Na1 Al1 Na2 87.0(3) 6 1_556 ? Na1 Al1 Na2 107.8(4) . 1_556 ? Ca Al1 Na2 88.91(19) 4_665 1_556 ? O1 Al1 Na3 102.0(2) . 6 ? O2 Al1 Na3 156.8(2) . 6 ? O3 Al1 Na3 59.0(2) 1_556 6 ? O4 Al1 Na3 54.7(2) 6 6 ? Na2 Al1 Na3 23.7(2) 6 6 ? Na2 Al1 Na3 83.6(3) . 6 ? Na1 Al1 Na3 13.0(2) 6 6 ? Na1 Al1 Na3 73.3(3) . 6 ? Ca Al1 Na3 157.25(16) 4_665 6 ? Na2 Al1 Na3 80.0(3) 1_556 6 ? O2 Si2 O4 113.4(2) 2_665 1_556 ? O2 Si2 O1 103.33(19) 2_665 . ? O4 Si2 O1 110.4(2) 1_556 . ? O2 Si2 O3 113.4(2) 2_665 5 ? O4 Si2 O3 107.6(2) 1_556 5 ? O1 Si2 O3 108.6(2) . 5 ? O2 Si2 Na2 110.0(3) 2_665 . ? O4 Si2 Na2 136.1(3) 1_556 . ? O1 Si2 Na2 51.7(3) . . ? O3 Si2 Na2 58.7(3) 5 . ? O2 Si2 Na1 140.6(2) 2_665 5 ? O4 Si2 Na1 58.4(3) 1_556 5 ? O1 Si2 Na1 115.8(3) . 5 ? O3 Si2 Na1 50.1(3) 5 5 ? Na2 Si2 Na1 91.2(4) . 5 ? O2 Si2 Na2 129.7(3) 2_665 5 ? O4 Si2 Na2 59.5(4) 1_556 5 ? O1 Si2 Na2 126.4(3) . 5 ? O3 Si2 Na2 48.3(4) 5 5 ? Na2 Si2 Na2 96.8(5) . 5 ? Na1 Si2 Na2 10.9(3) 5 5 ? O2 Si2 Ca 46.77(13) 2_665 4_665 ? O4 Si2 Ca 122.82(16) 1_556 4_665 ? O1 Si2 Ca 56.81(13) . 4_665 ? O3 Si2 Ca 129.52(15) 5 4_665 ? Na2 Si2 Ca 83.5(3) . 4_665 ? Na1 Si2 Ca 172.6(2) 5 4_665 ? Na2 Si2 Ca 175.9(3) 5 4_665 ? O2 Si2 Na1 120.0(3) 2_665 . ? O4 Si2 Na1 126.4(3) 1_556 . ? O1 Si2 Na1 53.9(3) . . ? O3 Si2 Na1 54.7(3) 5 . ? Na2 Si2 Na1 10.1(3) . . ? Na1 Si2 Na1 81.9(4) 5 . ? Na2 Si2 Na1 88.3(4) 5 . ? Ca Si2 Na1 92.4(2) 4_665 . ? O2 Si2 Na2 112.6(3) 2_665 1_556 ? O4 Si2 Na2 42.1(4) 1_556 1_556 ? O1 Si2 Na2 70.0(3) . 1_556 ? O3 Si2 Na2 132.8(3) 5 1_556 ? Na2 Si2 Na2 113.2(4) . 1_556 ? Na1 Si2 Na2 86.7(4) 5 1_556 ? Na2 Si2 Na2 93.0(5) 5 1_556 ? Ca Si2 Na2 90.6(3) 4_665 1_556 ? Na1 Si2 Na2 108.4(4) . 1_556 ? O2 Si2 Na3 153.7(2) 2_665 5 ? O4 Si2 Na3 59.7(2) 1_556 5 ? O1 Si2 Na3 102.7(2) . 5 ? O3 Si2 Na3 53.8(2) 5 5 ? Na2 Si2 Na3 83.7(3) . 5 ? Na1 Si2 Na3 13.15(18) 5 5 ? Na2 Si2 Na3 24.0(2) 5 5 ? Ca Si2 Na3 159.48(16) 4_665 5 ? Na1 Si2 Na3 73.8(3) . 5 ? Na2 Si2 Na3 79.9(3) 1_556 5 ? Si2 O1 Al1 162.0(2) . . ? Si2 O1 Na2 97.2(4) . . ? Al1 O1 Na2 96.3(4) . . ? Si2 O1 Na1 96.9(3) . . ? Al1 O1 Na1 93.7(3) . . ? Na2 O1 Na1 12.3(4) . . ? Si2 O1 Ca 93.34(15) . 4_665 ? Al1 O1 Ca 93.33(15) . 4_665 ? Na2 O1 Ca 109.5(3) . 4_665 ? Na1 O1 Ca 121.8(3) . 4_665 ? Si2 O1 Na2 81.0(3) . 1_556 ? Al1 O1 Na2 81.1(3) . 1_556 ? Na2 O1 Na2 145.6(5) . 1_556 ? Na1 O1 Na2 133.3(4) . 1_556 ? Ca O1 Na2 104.9(3) 4_665 1_556 ? Si2 O1 Na3 94.8(2) . . ? Al1 O1 Na3 92.6(2) . . ? Na2 O1 Na3 24.3(3) . . ? Na1 O1 Na3 12.0(3) . . ? Ca O1 Na3 133.8(2) 4_665 . ? Na2 O1 Na3 121.4(3) 1_556 . ? Si2 O1 Na1 81.9(3) . 1_556 ? Al1 O1 Na1 80.1(3) . 1_556 ? Na2 O1 Na1 136.0(5) . 1_556 ? Na1 O1 Na1 123.7(4) . 1_556 ? Ca O1 Na1 114.5(3) 4_665 1_556 ? Na2 O1 Na1 9.7(3) 1_556 1_556 ? Na3 O1 Na1 111.7(3) . 1_556 ? Si2 O1 Na3 81.87(18) . 1_556 ? Al1 O1 Na3 80.64(17) . 1_556 ? Na2 O1 Na3 125.3(4) . 1_556 ? Na1 O1 Na3 113.0(3) . 1_556 ? Ca O1 Na3 125.21(18) 4_665 1_556 ? Na2 O1 Na3 20.4(3) 1_556 1_556 ? Na3 O1 Na3 101.0(2) . 1_556 ? Na1 O1 Na3 10.72(19) 1_556 1_556 ? Si2 O1 Na3 54.15(17) . 5 ? Al1 O1 Na3 117.3(2) . 5 ? Na2 O1 Na3 79.3(4) . 5 ? Na1 O1 Na3 69.7(3) . 5 ? Ca O1 Na3 147.47(18) 4_665 5 ? Na2 O1 Na3 71.9(3) 1_556 5 ? Na3 O1 Na3 59.83(19) . 5 ? Na1 O1 Na3 64.6(3) 1_556 5 ? Na3 O1 Na3 55.95(17) 1_556 5 ? Si2 O2 Al1 151.8(2) 3_565 . ? Si2 O2 Ca 104.46(17) 3_565 4_665 ? Al1 O2 Ca 103.60(16) . 4_665 ? Si2 O2 Na2 47.5(3) 3_565 3_565 ? Al1 O2 Na2 142.9(3) . 3_565 ? Ca O2 Na2 78.8(3) 4_665 3_565 ? Si2 O2 Na2 144.2(3) 3_565 . ? Al1 O2 Na2 47.3(2) . . ? Ca O2 Na2 76.9(2) 4_665 . ? Na2 O2 Na2 99.6(5) 3_565 . ? Si2 O2 Na2 46.6(2) 3_565 3_566 ? Al1 O2 Na2 135.0(3) . 3_566 ? Ca O2 Na2 84.6(3) 4_665 3_566 ? Na2 O2 Na2 81.9(2) 3_565 3_566 ? Na2 O2 Na2 160.7(2) . 3_566 ? Si2 O2 Na2 136.0(3) 3_565 1_556 ? Al1 O2 Na2 46.5(2) . 1_556 ? Ca O2 Na2 82.7(2) 4_665 1_556 ? Na2 O2 Na2 161.1(2) 3_565 1_556 ? Na2 O2 Na2 79.8(3) . 1_556 ? Na2 O2 Na2 92.5(4) 3_566 1_556 ? Si2 O2 Na1 41.2(2) 3_565 3_565 ? Al1 O2 Na1 146.6(3) . 3_565 ? Ca O2 Na1 83.3(2) 4_665 3_565 ? Na2 O2 Na1 6.4(3) 3_565 3_565 ? Na2 O2 Na1 105.3(2) . 3_565 ? Na2 O2 Na1 77.7(4) 3_566 3_565 ? Na2 O2 Na1 163.6(3) 1_556 3_565 ? Si2 O2 Na2 33.82(17) 3_565 4_565 ? Al1 O2 Na2 118.2(2) . 4_565 ? Ca O2 Na2 138.23(18) 4_665 4_565 ? Na2 O2 Na2 68.3(3) 3_565 4_565 ? Na2 O2 Na2 132.2(4) . 4_565 ? Na2 O2 Na2 66.3(3) 3_566 4_565 ? Na2 O2 Na2 125.9(4) 1_556 4_565 ? Na1 O2 Na2 62.2(3) 3_565 4_565 ? Si2 O2 Na1 147.2(3) 3_565 . ? Al1 O2 Na1 40.9(2) . . ? Ca O2 Na1 82.32(18) 4_665 . ? Na2 O2 Na1 104.9(2) 3_565 . ? Na2 O2 Na1 6.8(3) . . ? Na2 O2 Na1 163.8(3) 3_566 . ? Na2 O2 Na1 76.2(4) 1_556 . ? Na1 O2 Na1 110.3(4) 3_565 . ? Na2 O2 Na1 129.8(2) 4_565 . ? Si2 O2 Na2 121.4(2) 3_565 6 ? Al1 O2 Na2 30.6(2) . 6 ? Ca O2 Na2 134.1(2) 4_665 6 ? Na2 O2 Na2 132.5(4) 3_565 6 ? Na2 O2 Na2 66.6(2) . 6 ? Na2 O2 Na2 126.0(4) 3_566 6 ? Na2 O2 Na2 64.8(2) 1_556 6 ? Na1 O2 Na2 131.6(3) 3_565 6 ? Na2 O2 Na2 87.6(3) 4_565 6 ? Na1 O2 Na2 59.9(3) . 6 ? Si2 O2 Na1 26.27(17) 3_565 4_565 ? Al1 O2 Na1 125.7(2) . 4_565 ? Ca O2 Na1 130.72(18) 4_665 4_565 ? Na2 O2 Na1 63.2(4) 3_565 4_565 ? Na2 O2 Na1 136.8(3) . 4_565 ? Na2 O2 Na1 61.0(3) 3_566 4_565 ? Na2 O2 Na1 129.2(2) 1_556 4_565 ? Na1 O2 Na1 57.0(2) 3_565 4_565 ? Na2 O2 Na1 7.55(16) 4_565 4_565 ? Na1 O2 Na1 135.3(3) . 4_565 ? Na2 O2 Na1 95.1(3) 6 4_565 ? Si2 O3 Al1 142.4(3) 6_554 1_554 ? Si2 O3 Na2 101.6(4) 6_554 . ? Al1 O3 Na2 106.2(4) 1_554 . ? Si2 O3 Na1 99.1(4) 6_554 . ? Al1 O3 Na1 113.8(4) 1_554 . ? Na2 O3 Na1 14.1(3) . . ? Si2 O3 Na2 89.8(4) 6_554 6_554 ? Al1 O3 Na2 87.7(4) 1_554 6_554 ? Na2 O3 Na2 135.6(5) . 6_554 ? Na1 O3 Na2 122.2(5) . 6_554 ? Si2 O3 Na1 96.0(4) 6_554 6_554 ? Al1 O3 Na1 89.7(4) 1_554 6_554 ? Na2 O3 Na1 123.1(5) . 6_554 ? Na1 O3 Na1 110.1(5) . 6_554 ? Na2 O3 Na1 12.7(3) 6_554 6_554 ? Si2 O3 Na3 97.4(2) 6_554 . ? Al1 O3 Na3 119.2(3) 1_554 . ? Na2 O3 Na3 30.1(3) . . ? Na1 O3 Na3 16.0(2) . . ? Na2 O3 Na3 106.5(4) 6_554 . ? Na1 O3 Na3 94.6(4) 6_554 . ? Si2 O3 Na3 104.4(3) 6_554 6_554 ? Al1 O3 Na3 90.3(2) 1_554 6_554 ? Na2 O3 Na3 108.5(4) . 6_554 ? Na1 O3 Na3 96.0(4) . 6_554 ? Na2 O3 Na3 27.9(3) 6_554 6_554 ? Na1 O3 Na3 15.2(2) 6_554 6_554 ? Na3 O3 Na3 81.0(3) . 6_554 ? Si2 O3 Na1 159.8(2) 6_554 1_554 ? Al1 O3 Na1 35.93(19) 1_554 1_554 ? Na2 O3 Na1 96.2(5) . 1_554 ? Na1 O3 Na1 95.8(4) . 1_554 ? Na2 O3 Na1 70.6(4) 6_554 1_554 ? Na1 O3 Na1 65.9(4) 6_554 1_554 ? Na3 O3 Na1 93.2(3) . 1_554 ? Na3 O3 Na1 60.3(3) 6_554 1_554 ? Si2 O3 Na2 162.7(3) 6_554 1_554 ? Al1 O3 Na2 29.2(2) 1_554 1_554 ? Na2 O3 Na2 95.5(5) . 1_554 ? Na1 O3 Na2 97.0(4) . 1_554 ? Na2 O3 Na2 76.3(4) 6_554 1_554 ? Na1 O3 Na2 72.6(4) 6_554 1_554 ? Na3 O3 Na2 96.4(3) . 1_554 ? Na3 O3 Na2 67.6(2) 6_554 1_554 ? Na1 O3 Na2 7.54(18) 1_554 1_554 ? Si2 O4 Al1 143.2(3) 1_554 5_554 ? Si2 O4 Na2 110.5(5) 1_554 . ? Al1 O4 Na2 97.6(5) 5_554 . ? Si2 O4 Na1 116.3(4) 1_554 . ? Al1 O4 Na1 96.6(4) 5_554 . ? Na2 O4 Na1 13.7(4) . . ? Si2 O4 Na1 90.5(4) 1_554 5_554 ? Al1 O4 Na1 93.9(4) 5_554 5_554 ? Na2 O4 Na1 122.6(5) . 5_554 ? Na1 O4 Na1 109.2(5) . 5_554 ? Si2 O4 Na2 89.8(4) 1_554 5_554 ? Al1 O4 Na2 86.9(4) 5_554 5_554 ? Na2 O4 Na2 134.2(6) . 5_554 ? Na1 O4 Na2 120.5(5) . 5_554 ? Na1 O4 Na2 12.6(3) 5_554 5_554 ? Si2 O4 Na3 121.5(3) 1_554 . ? Al1 O4 Na3 94.7(2) 5_554 . ? Na2 O4 Na3 29.4(3) . . ? Na1 O4 Na3 15.6(3) . . ? Na1 O4 Na3 93.9(4) 5_554 . ? Na2 O4 Na3 105.0(4) 5_554 . ? Si2 O4 Na3 91.4(2) 1_554 5_554 ? Al1 O4 Na3 102.1(3) 5_554 5_554 ? Na2 O4 Na3 108.2(4) . 5_554 ? Na1 O4 Na3 95.2(4) . 5_554 ? Na1 O4 Na3 15.3(2) 5_554 5_554 ? Na2 O4 Na3 28.0(3) 5_554 5_554 ? Na3 O4 Na3 80.4(3) . 5_554 ? Si2 O4 Na2 29.19(19) 1_554 1_554 ? Al1 O4 Na2 162.2(3) 5_554 1_554 ? Na2 O4 Na2 99.7(5) . 1_554 ? Na1 O4 Na2 99.3(4) . 1_554 ? Na1 O4 Na2 73.4(4) 5_554 1_554 ? Na2 O4 Na2 78.2(4) 5_554 1_554 ? Na3 O4 Na2 98.4(3) . 1_554 ? Na3 O4 Na2 68.6(3) 5_554 1_554 ? Si2 O4 Na1 36.57(18) 1_554 1_554 ? Al1 O4 Na1 159.9(3) 5_554 1_554 ? Na2 O4 Na1 98.8(5) . 1_554 ? Na1 O4 Na1 96.5(4) . 1_554 ? Na1 O4 Na1 67.3(4) 5_554 1_554 ? Na2 O4 Na1 73.3(4) 5_554 1_554 ? Na3 O4 Na1 93.8(3) . 1_554 ? Na3 O4 Na1 61.5(3) 5_554 1_554 ? Na2 O4 Na1 7.71(18) 1_554 1_554 ? OS S OS 180.0 4_554 . ? OS S OS1 76(5) 4_554 1_445 ? OS S OS1 104(5) . 1_445 ? OS S OS1 76(5) 4_554 3_565 ? OS S OS1 104(5) . 3_565 ? OS1 S OS1 114(4) 1_445 3_565 ? OS S OS1 76(5) 4_554 2_655 ? OS S OS1 104(5) . 2_655 ? OS1 S OS1 114(4) 1_445 2_655 ? OS1 S OS1 114(4) 3_565 2_655 ? OS S Cl1 92(2) 4_554 . ? OS S Cl1 88(2) . . ? OS1 S Cl1 156(4) 1_445 . ? OS1 S Cl1 42(3) 3_565 . ? OS1 S Cl1 82(3) 2_655 . ? OS S Cl1 92(2) 4_554 2 ? OS S Cl1 88(2) . 2 ? OS1 S Cl1 42(3) 1_445 2 ? OS1 S Cl1 82(3) 3_565 2 ? OS1 S Cl1 156(4) 2_655 2 ? Cl1 S Cl1 119.8(3) . 2 ? OS S Cl1 92(2) 4_554 3 ? OS S Cl1 88(2) . 3 ? OS1 S Cl1 82(3) 1_445 3 ? OS1 S Cl1 156(4) 3_565 3 ? OS1 S Cl1 42(3) 2_655 3 ? Cl1 S Cl1 119.8(3) . 3 ? Cl1 S Cl1 119.8(3) 2 3 ? OS S Cl2 128(2) 4_554 5_455 ? OS S Cl2 52(2) . 5_455 ? OS1 S Cl2 137(5) 1_445 5_455 ? OS1 S Cl2 56(4) 3_565 5_455 ? OS1 S Cl2 107(5) 2_655 5_455 ? Cl1 S Cl2 40(2) . 5_455 ? Cl1 S Cl2 97(3) 2 5_455 ? Cl1 S Cl2 125(3) 3 5_455 ? OS S Cl2 128(2) 4_554 4_665 ? OS S Cl2 52(2) . 4_665 ? OS1 S Cl2 107(5) 1_445 4_665 ? OS1 S Cl2 137(5) 3_565 4_665 ? OS1 S Cl2 56(4) 2_655 4_665 ? Cl1 S Cl2 97(3) . 4_665 ? Cl1 S Cl2 125(3) 2 4_665 ? Cl1 S Cl2 40(2) 3 4_665 ? Cl2 S Cl2 86(3) 5_455 4_665 ? OS S Cl2 128(2) 4_554 6_545 ? OS S Cl2 52(2) . 6_545 ? OS1 S Cl2 56(4) 1_445 6_545 ? OS1 S Cl2 107(5) 3_565 6_545 ? OS1 S Cl2 137(5) 2_655 6_545 ? Cl1 S Cl2 125(3) . 6_545 ? Cl1 S Cl2 40(2) 2 6_545 ? Cl1 S Cl2 97(3) 3 6_545 ? Cl2 S Cl2 86(3) 5_455 6_545 ? Cl2 S Cl2 86(3) 4_665 6_545 ? OS S Cl2 41.2(19) 4_554 2_655 ? OS S Cl2 138.8(19) . 2_655 ? OS1 S Cl2 48(4) 1_445 2_655 ? OS1 S Cl2 114(5) 3_565 2_655 ? OS1 S Cl2 72(5) 2_655 2_655 ? Cl1 S Cl2 131(4) . 2_655 ? Cl1 S Cl2 85(3) 2 2_655 ? Cl1 S Cl2 62(2) 3 2_655 ? Cl2 S Cl2 169(3) 5_455 2_655 ? Cl2 S Cl2 102(2) 4_665 2_655 ? Cl2 S Cl2 102(2) 6_545 2_655 ? S OS S 180.00(3) 4 . ? S OS Cl2 103(3) 4 6_545 ? S OS Cl2 77(3) . 6_545 ? S OS Cl2 103(3) 4 5_455 ? S OS Cl2 77(3) . 5_455 ? Cl2 OS Cl2 115(2) 6_545 5_455 ? S OS Cl2 103(3) 4 4_665 ? S OS Cl2 77(3) . 4_665 ? Cl2 OS Cl2 115(2) 6_545 4_665 ? Cl2 OS Cl2 115(2) 5_455 4_665 ? S OS OS1 57(3) 4 4_665 ? S OS OS1 123(3) . 4_665 ? Cl2 OS OS1 153(4) 6_545 4_665 ? Cl2 OS OS1 60(3) 5_455 4_665 ? Cl2 OS OS1 88(4) 4_665 4_665 ? S OS OS1 57(3) 4 6_545 ? S OS OS1 123(3) . 6_545 ? Cl2 OS OS1 88(4) 6_545 6_545 ? Cl2 OS OS1 153(4) 5_455 6_545 ? Cl2 OS OS1 60(3) 4_665 6_545 ? OS1 OS OS1 93(4) 4_665 6_545 ? S OS OS1 57(3) 4 5_455 ? S OS OS1 123(3) . 5_455 ? Cl2 OS OS1 60(3) 6_545 5_455 ? Cl2 OS OS1 88(4) 5_455 5_455 ? Cl2 OS OS1 153(4) 4_665 5_455 ? OS1 OS OS1 93(4) 4_665 5_455 ? OS1 OS OS1 93(4) 6_545 5_455 ? S OS Cl1 47.4(15) 4 5 ? S OS Cl1 132.6(15) . 5 ? Cl2 OS Cl1 146(4) 6_545 5 ? Cl2 OS Cl1 91(3) 5_455 5 ? Cl2 OS Cl1 67(3) 4_665 5 ? OS1 OS Cl1 32(3) 4_665 5 ? OS1 OS Cl1 62(3) 6_545 5 ? OS1 OS Cl1 102(3) 5_455 5 ? S OS Cl1 47.4(15) 4 6 ? S OS Cl1 132.6(15) . 6 ? Cl2 OS Cl1 91(3) 6_545 6 ? Cl2 OS Cl1 67(3) 5_455 6 ? Cl2 OS Cl1 146(4) 4_665 6 ? OS1 OS Cl1 62(3) 4_665 6 ? OS1 OS Cl1 102(3) 6_545 6 ? OS1 OS Cl1 32(3) 5_455 6 ? Cl1 OS Cl1 79(2) 5 6 ? S OS Cl1 47.4(15) 4 4 ? S OS Cl1 132.6(15) . 4 ? Cl2 OS Cl1 67(3) 6_545 4 ? Cl2 OS Cl1 146(4) 5_455 4 ? Cl2 OS Cl1 91(3) 4_665 4 ? OS1 OS Cl1 102(3) 4_665 4 ? OS1 OS Cl1 32(3) 6_545 4 ? OS1 OS Cl1 62(3) 5_455 4 ? Cl1 OS Cl1 79(2) 5 4 ? Cl1 OS Cl1 79(2) 6 4 ? S OS Cl1 132.9(14) 4 . ? S OS Cl1 47.1(14) . . ? Cl2 OS Cl1 113(4) 6_545 . ? Cl2 OS Cl1 34(3) 5_455 . ? Cl2 OS Cl1 89(3) 4_665 . ? OS1 OS Cl1 78(3) 4_665 . ? OS1 OS Cl1 148(3) 6_545 . ? OS1 OS Cl1 118(3) 5_455 . ? Cl1 OS Cl1 101.0(10) 5 . ? Cl1 OS Cl1 101.0(10) 6 . ? Cl1 OS Cl1 180(3) 4 . ? Cl1 OS1 S 69(2) 2_665 1_665 ? Cl1 OS1 Na3 46(4) 2_665 2_665 ? S OS1 Na3 115(5) 1_665 2_665 ? Cl1 OS1 Cl2 48(5) 2_665 6_655 ? S OS1 Cl2 73(4) 1_665 6_655 ? Na3 OS1 Cl2 66(4) 2_665 6_655 ? Cl1 OS1 Cl2 140(9) 2_665 2_765 ? S OS1 Cl2 89(5) 1_665 2_765 ? Na3 OS1 Cl2 138(7) 2_665 2_765 ? Cl2 OS1 Cl2 156(7) 6_655 2_765 ? Cl1 OS1 OS 90(5) 2_665 4_664 ? S OS1 OS 48(2) 1_665 4_664 ? Na3 OS1 OS 121(5) 2_665 4_664 ? Cl2 OS1 OS 118(3) 6_655 4_664 ? Cl2 OS1 OS 52(4) 2_765 4_664 ? Cl1 OS1 Cl1 114(4) 2_665 3_665 ? S OS1 Cl1 49.0(18) 1_665 3_665 ? Na3 OS1 Cl1 155(6) 2_665 3_665 ? Cl2 OS1 Cl1 89(5) 6_655 3_665 ? Cl2 OS1 Cl1 67(4) 2_765 3_665 ? OS OS1 Cl1 66(2) 4_664 3_665 ? Cl1 OS1 Na1 56(4) 2_665 2_665 ? S OS1 Na1 126(5) 1_665 2_665 ? Na3 OS1 Na1 10.4(5) 2_665 2_665 ? Cl2 OS1 Na1 71(4) 6_655 2_665 ? Cl2 OS1 Na1 133(5) 2_765 2_665 ? OS OS1 Na1 127(5) 4_664 2_665 ? Cl1 OS1 Na1 160(6) 3_665 2_665 ? Cl1 OS1 Na2 60(4) 2_665 2_665 ? S OS1 Na2 129(5) 1_665 2_665 ? Na3 OS1 Na2 13.8(7) 2_665 2_665 ? Cl2 OS1 Na2 74(4) 6_655 2_665 ? Cl2 OS1 Na2 130(5) 2_765 2_665 ? OS OS1 Na2 128(4) 4_664 2_665 ? Cl1 OS1 Na2 162(5) 3_665 2_665 ? Na1 OS1 Na2 3.5(8) 2_665 2_665 ? Cl1 OS1 Na3 143(8) 2_665 4_664 ? S OS1 Na3 119(5) 1_665 4_664 ? Na3 OS1 Na3 113(3) 2_665 4_664 ? Cl2 OS1 Na3 164(5) 6_655 4_664 ? Cl2 OS1 Na3 30(3) 2_765 4_664 ? OS OS1 Na3 76(4) 4_664 4_664 ? Cl1 OS1 Na3 92(4) 3_665 4_664 ? Na1 OS1 Na3 105.3(19) 2_665 4_664 ? Na2 OS1 Na3 102.0(16) 2_665 4_664 ? Cl1 OS1 Na3 127(4) 2_665 3_665 ? S OS1 Na3 61(3) 1_665 3_665 ? Na3 OS1 Na3 163(6) 2_665 3_665 ? Cl2 OS1 Na3 98(4) 6_655 3_665 ? Cl2 OS1 Na3 58(4) 2_765 3_665 ? OS OS1 Na3 70(2) 4_664 3_665 ? Cl1 OS1 Na3 12.8(15) 3_665 3_665 ? Na1 OS1 Na3 163(4) 2_665 3_665 ? Na2 OS1 Na3 162(3) 2_665 3_665 ? Na3 OS1 Na3 81(2) 4_664 3_665 ? Cl1 OS1 Na1 148(6) 2_665 4_664 ? S OS1 Na1 128(5) 1_665 4_664 ? Na3 OS1 Na1 110(2) 2_665 4_664 ? Cl2 OS1 Na1 152(5) 6_655 4_664 ? Cl2 OS1 Na1 40(3) 2_765 4_664 ? OS OS1 Na1 88(4) 4_664 4_664 ? Cl1 OS1 Na1 94(4) 3_665 4_664 ? Na1 OS1 Na1 100.7(14) 2_665 4_664 ? Na2 OS1 Na1 97.2(12) 2_665 4_664 ? Na3 OS1 Na1 12.3(3) 4_664 4_664 ? Na3 OS1 Na1 82(2) 3_665 4_664 ? OS1 Cl1 Na3 91(4) 3_565 . ? OS1 Cl1 Cl2 89(7) 3_565 5_455 ? Na3 Cl1 Cl2 95(4) . 5_455 ? OS1 Cl1 S 69(2) 3_565 . ? Na3 Cl1 S 160(3) . . ? Cl2 Cl1 S 85(4) 5_455 . ? OS1 Cl1 Na1 96(3) 3_565 . ? Na3 Cl1 Na1 5.1(9) . . ? Cl2 Cl1 Na1 95(4) 5_455 . ? S Cl1 Na1 165(2) . . ? OS1 Cl1 OS1 108(6) 3_565 2_655 ? Na3 Cl1 OS1 144(4) . 2_655 ? Cl2 Cl1 OS1 114(5) 5_455 2_655 ? S Cl1 OS1 48.9(18) . 2_655 ? Na1 Cl1 OS1 142(3) . 2_655 ? OS1 Cl1 Cl2 89(7) 3_565 3_565 ? Na3 Cl1 Cl2 104(3) . 3_565 ? Cl2 Cl1 Cl2 161(5) 5_455 3_565 ? S Cl1 Cl2 76(3) . 3_565 ? Na1 Cl1 Cl2 105(3) . 3_565 ? OS1 Cl1 Cl2 48(4) 2_655 3_565 ? OS1 Cl1 OS 58(5) 3_565 4_554 ? Na3 Cl1 OS 128(3) . 4_554 ? Cl2 Cl1 OS 122(4) 5_455 4_554 ? S Cl1 OS 40.4(12) . 4_554 ? Na1 Cl1 OS 132(2) . 4_554 ? OS1 Cl1 OS 51(3) 2_655 4_554 ? Cl2 Cl1 OS 43(2) 3_565 4_554 ? OS1 Cl1 OS 91(5) 3_565 . ? Na3 Cl1 OS 141(3) . . ? Cl2 Cl1 OS 45(4) 5_455 . ? S Cl1 OS 45.1(14) . . ? Na1 Cl1 OS 139(2) . . ? OS1 Cl1 OS 71(3) 2_655 . ? Cl2 Cl1 OS 116(3) 3_565 . ? OS Cl1 OS 85.5(13) 4_554 . ? Cl1 Cl2 OS 100(5) 6_664 4_664 ? Cl1 Cl2 OS1 43(4) 6_664 5_564 ? OS Cl2 OS1 99(4) 4_664 5_564 ? Cl1 Cl2 OS1 118(7) 6_664 3_675 ? OS Cl2 OS1 68(4) 4_664 3_675 ? OS1 Cl2 OS1 156(8) 5_564 3_675 ? Cl1 Cl2 Na3 41(3) 6_664 6_664 ? OS Cl2 Na3 141(5) 4_664 6_664 ? OS1 Cl2 Na3 57(4) 5_564 6_664 ? OS1 Cl2 Na3 121(5) 3_675 6_664 ? Cl1 Cl2 S 55(3) 6_664 4_664 ? OS Cl2 S 51(2) 4_664 4_664 ? OS1 Cl2 S 51(2) 5_564 4_664 ? OS1 Cl2 S 109(5) 3_675 4_664 ? Na3 Cl2 S 94(3) 6_664 4_664 ? Cl1 Cl2 Cl1 169(6) 6_664 2_665 ? OS Cl2 Cl1 70(3) 4_664 2_665 ? OS1 Cl2 Cl1 131(6) 5_564 2_665 ? OS1 Cl2 Cl1 65(4) 3_675 2_665 ? Na3 Cl2 Cl1 148(4) 6_664 2_665 ? S Cl2 Cl1 114(4) 4_664 2_665 ? Cl1 Cl2 S 132(5) 6_664 1_665 ? OS Cl2 S 36.2(18) 4_664 1_665 ? OS1 Cl2 S 133(4) 5_564 1_665 ? OS1 Cl2 S 43.3(18) 3_675 1_665 ? Na3 Cl2 S 163(5) 6_664 1_665 ? S Cl2 S 87(3) 4_664 1_665 ? Cl1 Cl2 S 41.8(16) 2_665 1_665 ? Cl1 Cl2 Na1 55(3) 6_664 6_664 ? OS Cl2 Na1 154(5) 4_664 6_664 ? OS1 Cl2 Na1 68(3) 5_564 6_664 ? OS1 Cl2 Na1 114(4) 3_675 6_664 ? Na3 Cl2 Na1 14.4(8) 6_664 6_664 ? S Cl2 Na1 108(3) 4_664 6_664 ? Cl1 Cl2 Na1 135(4) 2_665 6_664 ? S Cl2 Na1 157(3) 1_665 6_664 ? Cl1 Cl2 Cl2 77(4) 6_664 3_675 ? OS Cl2 Cl2 32.3(11) 4_664 3_675 ? OS1 Cl2 Cl2 97(3) 5_564 3_675 ? OS1 Cl2 Cl2 62(5) 3_675 3_675 ? Na3 Cl2 Cl2 114(4) 6_664 3_675 ? S Cl2 Cl2 47.0(17) 4_664 3_675 ? Cl1 Cl2 Cl2 97(2) 2_665 3_675 ? S Cl2 Cl2 55.2(15) 1_665 3_675 ? Na1 Cl2 Cl2 124(4) 6_664 3_675 ? Cl1 Cl2 Cl2 101(3) 6_664 2_765 ? OS Cl2 Cl2 32.3(11) 4_664 2_765 ? OS1 Cl2 Cl2 79(4) 5_564 2_765 ? OS1 Cl2 Cl2 96(3) 3_675 2_765 ? Na3 Cl2 Cl2 135(2) 6_664 2_765 ? S Cl2 Cl2 47.0(17) 4_664 2_765 ? Cl1 Cl2 Cl2 68(3) 2_665 2_765 ? S Cl2 Cl2 55.2(15) 1_665 2_765 ? Na1 Cl2 Cl2 147(2) 6_664 2_765 ? Cl2 Cl2 Cl2 59.999(10) 3_675 2_765 ? Cl1 Cl2 Cl1 81(4) 6_664 4_664 ? OS Cl2 Cl1 55(3) 4_664 4_664 ? OS1 Cl2 Cl1 52(3) 5_564 4_664 ? OS1 Cl2 Cl1 122(4) 3_675 4_664 ? Na3 Cl2 Cl1 108(3) 6_664 4_664 ? S Cl2 Cl1 36.4(15) 4_664 4_664 ? Cl1 Cl2 Cl1 88(3) 2_665 4_664 ? S Cl2 Cl1 82(2) 1_665 4_664 ? Na1 Cl2 Cl1 120(2) 6_664 4_664 ? Cl2 Cl2 Cl1 72(2) 3_675 4_664 ? Cl2 Cl2 Cl1 27.2(17) 2_765 4_664 ? _refine_diff_density_max 0.472 _refine_diff_density_min -0.651 _refine_diff_density_rms 0.091 _shelx_res_file ; TITL a in P6(3) final.res created by SHELXL-2018/3 at 09:58:53 on 08-Mar-2021 CELL 0.71073 12.816594 12.816594 5.356161 90.000 90.000 120.000 ZERR 1.00 0.000934 0.000934 0.000337 0.000 0.000 0.000 LATT -1 SYMM - Y, X - Y, Z SYMM - X + Y, - X, Z SYMM - X, - Y, 1/2 + Z SYMM Y, - X + Y, 1/2 + Z SYMM X - Y, X, 1/2 + Z SFAC O SI AL NA CA K S cl UNIT 25.38 6 6 4.20 2.12 1.14 0.21 3.26 conn 25 3.5 Na1 Na2 Na3 FMAP 2 BOND PLAN 20 acta rem isor 0.01 0.01 cl1 o6 Cl2 na1 na3 s1 o7 cl2 rem exyz na2 k2 rem eadp na2 k2 rem exyz na1 ca2 rem eadp na1 ca2 L.S. 14 twin temp -173 shel 30 0.75 eqiv $26 -x, -y, z+1/2 rem WGHT 0.032700 0.133300 rem EXTI 0.002206 rem eadp Na1 Ca1 exyz Na1 Ca1 WGHT 0.015400 BASF 0.52469 FVAR 4.71018 NA1 4 0.142539 0.294174 0.288068 10.31000 0.00801 0.03655 = 0.01674 0.00082 -0.00225 0.00829 CA1 5 0.142539 0.294174 0.288068 10.02000 0.00801 0.03655 = 0.01674 0.00082 -0.00225 0.00829 NA2 4 0.173726 0.347723 0.281829 10.34000 0.00692 0.05300 = 0.00854 -0.00809 -0.00437 0.01504 exyz Na3 K Ow3 eadp Na3 K Ow3 NA3 4 0.109066 0.224817 0.288031 10.05000 0.02064 0.03611 = 0.03554 0.00142 0.00293 0.01567 K 6 0.109066 0.224817 0.288031 10.19000 0.02064 0.03611 = 0.03554 0.00142 0.00293 0.01567 OW3 1 0.109066 0.224817 0.288031 10.09000 0.02064 0.03611 = 0.03554 0.00142 0.00293 0.01567 CA 5 0.666667 0.333333 0.216685 10.33333 0.01055 0.01055 = 0.00767 0.00000 0.00000 0.00528 CL 8 0.321678 0.636594 0.221041 10.33333 0.05345 0.03319 = 0.00714 0.00049 0.00200 0.02820 AL1 3 0.073466 0.411736 0.760564 11.00000 0.00626 0.00780 = 0.00382 -0.00017 -0.00115 0.00230 SI2 2 0.331738 0.412865 0.760242 11.00000 0.00924 0.00904 = 0.00687 0.00130 -0.00044 0.00600 O1 1 0.211005 0.421134 0.715211 11.00000 0.00981 0.01642 = 0.01619 0.00199 0.00273 0.00721 O2 1 0.113559 0.561665 0.748733 11.00000 0.01441 0.01258 = 0.01687 0.00173 0.00047 0.00607 O3 1 0.010882 0.340782 0.041553 11.00000 0.01941 0.01616 = 0.00917 -0.00088 -0.00228 0.00887 O4 1 0.324416 0.348552 0.024968 11.00000 0.01908 0.01989 = 0.00605 0.00309 -0.00070 0.01124 eqiv $6 -x+y, -x+1, z eqiv $27 -x, -y, z-1/2 rem exyz OS1 Cl1 rem eadp OS1 Cl1 rem exyz OS2 Cl2 rem eadp OS2 Cl2 dfix 1.45 0.01 S OS1_$6 dfix 1.40 0.01 S OS eadp S OS S 7 0.000000 0.000000 0.301752 10.03500 0.07691 OS 1 0.000000 0.000000 0.563401 10.03500 0.07691 OS1 1 0.892839 0.888584 0.234419 10.10500 0.10032 CL1 8 0.078179 0.129637 0.312332 10.13000 0.10217 CL2 8 0.915591 1.038077 0.005282 10.08000 0.14051 rem rem omit 0 2 0 omit -1 2 0 omit -1 5 0 omit -2 7 0 omit -2 3 0 omit -7 9 2 HKLF 4 REM a in P6(3) REM wR2 = 0.0732, GooF = S = 1.075, Restrained GooF = 1.073 for all data REM R1 = 0.0407 for 1007 Fo > 4sig(Fo) and 0.0464 for all 1132 data REM 110 parameters refined using 3 restraints END WGHT 0.0150 0.0000 REM Highest difference peak 0.472, deepest hole -0.651, 1-sigma level 0.091 Q1 1 0.9628 0.8890 0.2632 11.00000 0.05 0.47 Q2 1 -0.0181 0.2308 0.2676 11.00000 0.05 0.38 Q3 1 0.3799 0.4199 0.2052 11.00000 0.05 0.33 Q4 1 0.2873 0.3597 0.6143 11.00000 0.05 0.32 Q5 1 0.2351 0.3317 0.7472 11.00000 0.05 0.32 Q6 1 0.0255 0.3640 0.8781 11.00000 0.05 0.32 Q7 1 0.1695 0.5923 0.6438 11.00000 0.05 0.31 Q8 1 0.8932 0.9884 0.0946 11.00000 0.05 0.31 Q9 1 0.8745 0.8906 0.0397 11.00000 0.05 0.31 Q10 1 0.0941 0.1404 0.1786 11.00000 0.05 0.30 Q11 1 0.0516 0.2467 0.2777 11.00000 0.05 0.29 Q12 1 0.1401 0.4730 0.6630 11.00000 0.05 0.28 Q13 1 0.2619 0.3615 -0.0275 11.00000 0.05 0.27 Q14 1 0.2488 0.4215 0.5729 11.00000 0.05 0.27 Q15 1 0.2777 0.4090 0.4453 11.00000 0.05 0.27 Q16 1 0.9011 1.0306 -0.1112 11.00000 0.05 0.26 Q17 1 -0.0925 0.3152 -0.0982 11.00000 0.05 0.26 Q18 1 0.1329 0.5989 1.0942 11.00000 0.05 0.25 Q19 1 0.2690 0.5328 0.8272 11.00000 0.05 0.25 Q20 1 0.3333 0.6667 0.0997 10.33333 0.05 0.25 ; _shelx_res_checksum 45478 _shelx_hkl_file ; 0 0 1 452.947 129.115 1 0 0 2 999999. 8497.63 1 0 0 3-84.6859 173.742 1 0 0 4 683234. 10391.8 1 0 0 5 187.548 279.612 1 0 0 6 118251. 5644.53 1 0 0 7 111.972 305.644 1 1 -1 1 93956.6 1885.72 1 1 0 -1 99818.2 1272.39 3 0 1 1 97196.6 1943.55 2 -1 0 1 96772.2 1863.80 1 1 0 1 99785.0 1867.45 1 1 0 1 99779.6 1260.55 3 -1 1 1 100247. 2021.11 1 0 -1 1 97079.2 1940.15 1 -1 1 1 97841.7 1868.55 2 0 1 1 99006.4 1938.50 1 -1 0 2 41065.4 1730.39 1 1 -1 2 41285.7 1741.25 1 0 1 2 39808.7 1702.91 1 -1 1 2 41994.4 1767.01 1 1 0 -2 43180.0 791.158 3 0 -1 2 40425.8 1721.56 1 1 0 2 40536.1 1693.18 1 0 1 2 42216.7 1780.79 2 -1 1 2 41675.5 1740.02 2 1 -1 3 44005.7 2226.17 1 0 1 3 43971.6 2215.31 1 0 -1 3 43164.3 2207.05 1 -1 1 3 45450.5 2274.90 1 1 0 3 42737.5 2185.27 1 -1 0 3 43064.4 2214.58 1 1 0 4 22980.0 1894.92 1 -1 1 4 23078.3 1929.89 1 -1 0 4 24247.3 1972.94 1 0 -1 4 24039.1 1948.21 1 0 1 4 21582.0 1840.30 1 1 -1 4 22902.5 1897.03 1 0 1 5 9447.97 1404.59 1 1 0 5 10600.6 1461.39 1 0 -1 5 11013.2 1508.46 1 -1 0 5 9796.22 1420.28 1 -1 1 5 11333.3 1519.68 1 1 -1 5 10320.9 1459.89 1 0 1 6 9424.57 1595.99 1 -1 1 6 9784.81 1647.13 1 1 -1 6 10924.2 1680.23 1 1 0 6 10308.2 1661.59 1 -1 0 6 10748.5 1705.85 1 0 -1 6 11136.3 1729.88 1 1 -1 7 3136.46 1017.67 1 -1 0 7 3729.80 1124.27 1 0 -1 7 4311.38 1217.75 1 0 1 7 4076.57 1228.32 1 1 0 7 5437.08 1383.74 1 -1 1 7 4674.88 1290.90 1 0 -1 8 2987.51 1087.72 1 1 -1 8 4292.18 1364.09 1 2 -1 0 12262.1 594.982 3 2 -1 -1 1413.57 204.167 3 -2 1 1 1587.25 276.455 1 1 1 1 1498.97 249.668 2 -2 1 1 1563.41 224.341 2 2 -1 1 1371.65 196.468 3 -1 -1 1 1481.95 234.406 1 1 1 1 1548.84 237.386 1 -2 1 2 20845.6 1254.94 1 -2 1 2 20885.2 1220.82 2 1 1 2 20119.6 1211.97 1 2 -1 -2 21163.1 810.888 3 1 1 2 21106.1 1273.66 2 -1 -1 2 19927.4 1233.06 1 2 -1 2 20101.2 720.132 3 -1 2 2 20843.6 1270.98 2 1 -2 2 19603.7 1248.44 1 2 -1 2 19849.9 1212.33 1 -1 2 2 21184.5 1364.73 1 -1 -1 3 551.298 245.917 1 1 1 3 730.224 279.241 1 1 -2 3 696.612 281.907 1 -1 2 3 971.764 330.220 1 -1 2 3 881.026 340.232 2 -2 1 3 757.635 289.334 1 2 -1 3 675.054 272.994 1 2 -1 -3 713.450 131.271 3 -2 1 4 52378.5 2925.53 1 1 1 4 51265.1 2824.82 1 -1 2 4 52377.1 2923.85 1 1 -2 4 51918.9 2873.82 1 -1 -1 4 50647.8 2823.87 1 2 -1 4 50372.4 2788.03 1 1 1 5 1141.62 479.859 1 2 -1 5 811.321 409.262 1 -1 2 5 873.360 424.817 1 1 -2 5 1143.21 502.272 1 -2 1 5 1115.58 509.243 1 -1 -1 5 1019.64 487.038 1 1 1 6 12664.3 1853.20 1 2 -1 6 10103.7 1631.49 1 -1 -1 6 12691.5 1838.87 1 -2 1 6 13095.1 1909.75 1 1 -2 6 12694.5 1842.52 1 2 -1 7 395.546 377.100 1 1 1 7 766.875 566.757 1 1 -2 7 460.773 484.838 1 -1 -1 7 774.525 576.163 1 1 -2 8 24319.1 3163.39 1 2 -1 8 26644.1 3326.92 1 -1 -1 8 26380.0 3364.00 1 2 0 0 307.697 93.3524 3 -2 0 1 1017.11 191.849 1 2 0 -1 1207.23 206.125 3 2 0 1 1183.00 193.872 3 2 0 1 1044.00 186.895 1 2 -2 2 5796.03 685.824 1 2 0 2 6688.69 474.670 3 2 0 2 6193.75 653.373 1 0 -2 2 6142.37 698.641 1 0 2 2 6114.72 699.644 2 -2 0 2 6621.78 691.796 1 -2 2 2 6264.84 693.464 2 2 0 -2 6113.12 435.326 3 0 2 2 7175.70 774.251 1 0 2 3 13830.1 1269.15 1 2 0 3 13584.0 1227.52 1 -2 0 3 13259.8 1232.64 1 -2 2 3 13473.1 1244.76 2 2 -2 -3 13898.5 693.546 3 2 -2 3 13809.9 1274.82 1 0 -2 3 13603.4 1257.13 1 2 -2 3 13030.9 486.679 3 0 2 3 14014.4 1287.26 2 -2 2 3 13817.0 1309.11 1 0 2 4 3605.04 768.216 1 -2 0 4 3640.14 785.766 1 2 -2 4 3039.62 687.025 1 -2 2 4 3567.87 766.739 1 2 0 4 3307.20 721.559 1 0 -2 4 3229.31 721.212 1 -2 0 5 4963.28 1010.83 1 0 2 5 4152.61 935.209 1 2 -2 5 5233.02 1063.00 1 -2 2 5 6237.80 1208.90 1 2 0 5 5245.50 1024.00 1 0 -2 5 4933.31 979.097 1 2 -2 6 3877.42 1010.11 1 2 0 6 3817.56 1011.06 1 -2 0 6 4463.59 1105.96 1 0 -2 6 3833.66 1028.07 1 0 2 6 4886.77 1227.90 1 2 0 7 5157.73 1305.28 1 2 -2 7 4516.53 1227.91 1 -2 0 7 5211.70 1352.07 1 0 -2 7 5756.24 1407.41 1 0 -2 8 3808.31 1249.27 1 2 -2 8 4180.77 1285.13 1 2 1 0 11235.4 718.509 3 3 -1 0 2628.63 347.400 3 2 1 1 128895. 2428.95 3 -2 -1 1 126913. 2234.63 1 1 2 1 127951. 2524.99 2 3 -1 1 127903. 2411.21 3 3 -2 1 124368. 2386.25 3 2 1 1 124112. 2095.93 1 2 1 -1 128166. 2418.30 3 -3 1 1 130048. 2002.21 2 2 1 1 127723. 2376.38 2 3 -2 2 176.073 148.859 1 1 2 2 166.793 113.552 1 3 -1 2 222.054 112.357 3 2 1 2 62.3169 75.8919 1 -2 3 2 301.462 186.105 2 -1 -2 2 222.826 150.853 1 -3 1 2 249.494 154.061 2 1 2 2 214.312 65.0172 2 3 -1 -2 143.366 76.2804 3 -3 1 2 237.368 138.114 1 -2 -1 2 233.528 156.545 1 3 -1 2 207.828 102.072 1 3 -2 -2 125.443 72.9420 3 -3 2 2 223.843 151.117 2 3 -2 2 119.762 69.3525 3 -1 3 2 79.6154 36.8390 2 2 1 2 82.2154 78.8677 2 3 -2 -3 56067.8 1614.87 3 3 -1 -3 52438.1 1498.34 3 3 -1 3 52105.3 2401.13 1 -3 2 3 54394.4 2445.63 2 3 -1 3 55339.1 1477.37 3 2 -3 3 51637.2 2523.04 1 -3 1 3 53814.4 2513.97 1 -1 -2 3 50021.5 2448.11 1 1 -3 3 54421.0 2587.63 1 -2 -1 3 51995.3 2436.22 1 1 2 3 51800.4 2453.16 1 1 2 3 52249.2 2527.18 2 2 1 3 51806.8 2397.37 1 -2 3 3 52800.3 2531.16 2 3 -2 3 51587.0 2442.05 1 -3 2 3 55508.7 2673.74 1 -1 3 3 51044.0 2504.10 2 3 -2 3 53561.5 1373.08 3 2 -3 -4 1121.97 213.394 3 -3 1 4 1245.79 438.112 1 -3 2 4 2895.27 712.918 1 -1 3 4 2557.91 660.546 2 -2 3 4 1485.34 500.922 2 3 -2 4 3242.82 716.485 1 2 -3 4 797.524 372.091 1 3 -1 4 1235.10 413.689 1 -1 -2 4 1442.89 508.562 1 2 1 4 2573.05 615.451 1 -2 -1 4 3220.99 730.796 1 1 2 4 1304.91 433.658 1 1 -3 4 2808.27 696.743 1 3 -1 5 18605.3 1953.75 1 -3 2 5 21173.9 2218.10 1 -3 1 5 19654.2 2050.64 1 2 -3 5 18836.0 1998.40 1 1 2 5 20789.7 2116.48 1 3 -2 5 19577.5 2031.19 1 -1 -2 5 20391.5 2071.47 1 2 1 5 19497.2 2009.96 1 1 -3 5 18701.2 1985.48 1 -2 -1 5 20126.6 2053.89 1 2 -3 6 1373.34 522.799 1 -1 -2 6 1571.29 625.505 1 3 -1 6 2091.60 713.135 1 -3 1 6 2109.85 800.278 1 2 1 6 1669.89 667.099 1 3 -2 6 1691.87 660.456 1 -2 -1 6 2113.99 754.944 1 1 -3 6 1289.32 571.065 1 -2 -1 7 7987.73 1638.68 1 3 -2 7 7439.99 1563.39 1 2 1 7 8971.09 1806.77 1 2 -3 7 8357.49 1669.70 1 -1 -2 7 7943.75 1652.96 1 1 -3 7 7140.85 1529.31 1 3 -1 7 8023.19 1636.32 1 3 -1 8 1692.04 876.946 1 2 -3 8 1733.92 842.977 1 -1 -2 8 1406.71 861.369 1 3 -2 8 3368.57 1193.00 1 -2 -1 8 3063.15 1186.39 1 1 -3 8 2404.92 952.233 1 3 0 0 345751. 4193.28 3 3 0 1 10908.7 734.664 3 -3 0 1 11885.5 672.525 1 3 0 -1 11150.3 744.539 3 3 0 1 12130.6 626.510 1 3 0 -2 35299.4 1311.97 3 -3 3 2 35221.9 1687.68 2 3 0 2 37745.5 1392.21 3 0 -3 2 34732.4 1708.51 1 -3 0 2 35228.5 1638.54 1 3 0 2 36545.1 1597.38 1 0 3 2 35391.5 1754.85 2 0 -3 3 1014.63 368.796 1 -3 0 3 1001.39 362.679 1 -3 3 3 765.999 321.409 2 3 0 -3 735.851 203.235 3 3 0 3 697.114 252.126 1 3 -3 3 715.387 164.861 3 0 3 3 892.433 330.922 2 3 -3 3 769.716 295.491 1 3 -3 4 61611.3 3180.06 1 -3 0 4 64550.0 3232.24 1 0 -3 4 66233.4 3339.66 1 3 0 4 65555.0 3176.54 1 -3 3 4 67461.2 3275.62 2 3 -3 -4 63860.7 1716.92 3 0 3 4 63707.8 3286.63 2 3 0 5 556.849 366.617 1 -3 0 5 146.775 166.151 1 0 -3 5 471.127 293.630 1 3 -3 5 527.633 307.764 1 3 -3 6 27330.5 2718.89 1 -3 0 6 29976.4 2855.22 1 0 -3 6 28177.9 2791.81 1 3 0 6 29754.3 2822.05 1 -3 0 7 1636.46 788.833 1 3 -3 7 1621.35 653.345 1 0 -3 7 1122.52 653.113 1 3 0 7 1657.41 766.822 1 3 -3 8 3952.69 1294.24 1 0 -3 8 2533.60 1044.69 1 4 -2 0 6487.70 610.969 3 4 -2 1 502.218 169.276 3 2 2 1 532.400 173.406 2 -2 -2 1 645.166 178.398 1 4 -2 -1 473.395 156.011 3 4 -2 -2 85841.7 2300.82 3 2 2 2 83867.7 2679.34 2 -4 2 2 86095.9 2499.05 2 -2 -2 2 88421.9 2646.58 1 4 -2 2 83786.7 2581.13 1 4 -2 2 89237.1 2292.22 3 -4 2 3 2976.54 572.090 2 2 2 3 3636.09 682.288 2 2 -4 3 3285.65 666.152 1 4 -2 -3 3187.67 448.526 3 4 -2 3 3089.24 412.498 3 -2 4 3 3421.01 662.062 2 -2 -2 3 3095.11 595.578 1 2 2 3 3789.34 667.101 1 4 -2 3 3055.10 597.591 1 -2 4 4 17582.2 1732.83 2 4 -2 -4 18781.3 972.549 3 2 2 4 18987.9 1737.06 1 2 -4 4 19546.3 1855.08 1 -2 -2 4 18293.6 1706.13 1 4 -2 4 18223.7 1718.42 1 -4 2 4 20039.0 1907.20 1 2 2 5 491.736 350.625 1 2 -4 5 93.2044 144.059 1 -2 -2 5 135.973 173.718 1 4 -2 5 115.510 131.957 1 4 -2 6 4448.66 1083.94 1 -2 -2 6 4058.22 1033.46 1 2 -4 6 3266.73 938.819 1 2 -4 7 1649.94 769.336 1 -2 -2 7 1335.46 706.103 1 4 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981.508 1 4 -1 7 5623.33 1333.30 1 4 -1 8 954.780 724.088 1 3 -4 8 767.854 507.624 1 4 -3 8 1031.30 648.925 1 1 -4 8 1284.36 792.568 1 -1 -3 8 1127.74 829.238 1 4 0 0 266346. 4202.83 3 4 0 1 163016. 2231.05 1 -4 0 1 168859. 2585.66 1 4 0 -1 155055. 3208.04 3 4 0 1 153179. 3202.78 3 -4 0 2 145942. 3368.73 1 0 4 2 143952. 3788.38 2 4 0 2 149416. 3199.95 1 4 0 -2 145612. 3085.29 3 4 0 2 147284. 3180.30 3 4 0 3 140620. 3914.37 1 0 4 3 141482. 4362.10 2 -4 0 3 142491. 4095.88 1 -4 4 3 142032. 4206.36 2 4 0 -3 140725. 3129.73 3 4 -4 3 139703. 4319.38 1 4 0 3 139652. 3125.44 3 4 -4 3 139458. 2948.10 3 0 -4 3 137765. 4248.15 1 -4 4 4 69451.8 3385.74 2 4 -4 4 71461.0 3532.22 1 0 4 4 73476.5 3602.95 2 4 -4 -4 69529.1 2195.17 3 0 -4 4 72870.3 3527.47 1 -4 0 4 71047.3 3413.40 1 4 0 4 70255.6 3283.59 1 0 -4 5 66444.5 3824.86 1 4 0 5 64696.7 3631.43 1 -4 0 5 63884.4 3728.39 1 4 -4 5 63217.3 3781.57 1 4 -4 6 21924.7 2486.30 1 0 -4 6 22957.7 2529.47 1 -4 0 6 22095.2 2479.33 1 4 0 6 22272.0 2412.99 1 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1112.97 1 5 -3 3 9243.02 1080.79 1 5 -3 3 8934.61 790.912 3 5 -2 -4 16690.4 1062.60 3 -5 3 4 15428.7 1525.10 2 -2 -3 4 18035.6 1726.51 1 5 -3 -4 15885.4 1068.91 3 3 2 4 15658.6 1595.85 1 -2 5 4 17009.6 1767.05 2 2 -5 4 16283.7 1726.84 1 -3 5 4 17059.1 1746.58 2 5 -3 4 15464.7 1600.76 1 -3 -2 4 15379.2 1585.75 1 5 -2 4 16226.9 1620.78 1 3 -5 4 16214.6 1729.93 1 3 2 5 14557.9 1801.92 1 -2 -3 5 10774.8 1524.63 1 -2 5 5 13421.1 1749.57 2 -3 5 5 11229.5 1606.31 2 5 -3 5 13888.1 1721.72 1 2 -5 5 12363.5 1685.08 1 5 -2 5 10869.2 1496.57 1 -3 -2 5 13239.5 1681.58 1 3 -5 5 11302.1 1609.38 1 5 -2 6 8664.41 1516.37 1 -3 -2 6 11092.3 1730.37 1 2 -5 6 11237.1 1770.38 1 5 -3 6 10877.0 1710.17 1 -2 -3 6 8827.53 1563.25 1 3 -5 6 9776.20 1673.54 1 -3 -2 7 9572.94 1830.40 1 5 -3 7 8067.49 1624.93 1 -2 -3 7 8640.50 1730.33 1 3 -5 7 7927.17 1656.66 1 2 -5 7 10404.9 1939.18 1 5 -2 7 8108.26 1659.42 1 -2 -3 8 7639.65 1791.53 1 3 -5 8 6729.12 1675.97 1 -3 -2 8 5474.44 1571.38 1 5 -2 8 7801.96 1790.39 1 5 -3 8 4961.00 1411.99 1 2 -5 8 5963.50 1572.98 1 4 1 0 13380.7 1018.92 3 4 1 0 13694.1 439.546 2 -4 -1 1 2595.23 312.339 1 4 1 1 2995.23 490.307 3 5 -1 1 2058.45 390.040 3 4 1 -1 2807.21 468.815 3 5 -1 1 2210.81 292.127 1 -5 1 1 2145.62 230.584 2 5 -1 -1 2373.09 436.411 3 5 -1 2 127545. 2999.99 1 4 1 2 117884. 3113.85 3 1 4 2 122157. 3497.63 2 5 -1 -2 124677. 3152.30 3 5 -4 2 115266. 3029.15 3 5 -1 2 124041. 3083.35 3 4 1 2 115100. 2830.77 1 -4 -1 2 112406. 2948.82 1 4 1 -2 119229. 3131.08 3 5 -4 3 3728.57 520.858 3 -1 5 3 3609.54 707.223 2 5 -4 3 3837.18 726.443 1 -4 5 3 1588.36 480.434 2 5 -1 3 1617.48 422.843 1 4 1 -3 4265.90 571.365 3 4 1 3 4283.88 687.325 1 5 -1 3 1460.47 338.122 3 -5 4 3 3927.00 697.717 2 -5 1 3 1328.71 412.014 1 -1 -4 3 1339.79 411.699 1 -4 -1 3 3721.68 670.866 1 5 -1 -3 1592.89 352.039 3 5 -4 -3 4067.50 588.424 3 1 4 3 1593.23 477.497 2 1 -5 3 4153.12 758.378 1 4 1 4 30049.1 2153.37 1 1 4 4 33462.4 2453.40 2 5 -1 4 32391.0 2236.90 1 -4 -1 4 30006.8 2204.68 1 -1 -4 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5 0 1 6362.51 428.085 1 5 0 1 6426.48 725.259 3 -5 0 2 6005.02 690.490 1 5 0 2 5711.94 618.800 1 5 0 -2 5529.69 676.124 3 5 0 2 5922.97 718.163 3 -5 5 3 250.764 227.410 2 0 5 3 274.742 146.949 2 0 -5 3 522.794 309.247 1 5 0 3 427.834 190.182 3 5 0 3 87.0843 105.540 1 5 0 -3 413.765 196.146 3 -5 0 3 588.866 237.019 1 5 -5 3 311.381 154.561 3 -5 5 4 3046.33 714.131 2 5 0 -4 3722.79 548.780 3 5 -5 -4 3561.54 569.633 3 5 0 4 3547.86 728.592 1 -5 0 4 4097.80 826.918 1 0 5 4 3285.01 753.654 2 5 -5 4 3375.49 785.445 1 0 -5 4 2855.18 710.612 1 5 0 5 4467.90 983.464 1 0 5 5 4388.88 1014.13 2 0 -5 5 4803.54 1051.61 1 5 -5 5 4073.97 966.978 1 -5 0 5 4808.71 1053.58 1 -5 5 5 3442.71 868.752 2 -5 0 6 1545.84 686.501 1 5 -5 6 634.959 431.313 1 0 -5 6 1195.63 552.157 1 5 0 6 964.453 518.611 1 5 -5 7 534.651 482.362 1 0 -5 7 212.415 331.631 1 5 0 7 743.177 480.267 1 5 -5 8 355.555 359.708 1 0 -5 8 185.458 249.287 1 6 -3 0 378769. 5785.24 3 6 -3 -1 517.578 189.045 3 6 -3 1 372.698 189.526 3 3 3 1 326.403 136.053 2 6 -3 2 41838.4 1986.18 3 -6 3 2 37817.3 1682.43 2 3 3 2 38501.1 1924.51 2 6 -3 -2 38118.0 1911.08 3 -3 -3 2 39715.9 1853.06 1 3 3 3 143.606 189.147 2 -6 3 3 451.582 226.480 2 6 -3 3 233.198 129.641 3 6 -3 3 355.859 207.366 1 -3 -3 3 178.886 105.538 1 -3 6 3 303.769 266.686 2 6 -3 -3 269.193 153.344 3 -3 -3 4 34722.9 2417.20 1 -3 6 4 36270.6 2646.64 2 6 -3 4 33306.7 2359.93 1 6 -3 -4 33378.1 1733.41 3 6 -3 4 34027.5 1624.06 3 3 -6 4 34454.2 2580.41 1 -3 6 5 489.721 358.356 2 -3 -3 5 45.1201 71.7695 1 3 -6 5 91.1676 190.247 1 6 -3 5 213.710 153.688 1 3 -6 6 40826.3 3478.43 1 -3 -3 6 38958.5 3280.00 1 6 -3 6 38407.5 3219.89 1 -3 -3 7 527.948 473.063 1 3 -6 7 32.0888 400.595 1 6 -3 7 10.9817 263.049 1 -3 -3 8 5258.07 1513.38 1 3 -6 8 5300.80 1496.94 1 6 -3 8 3560.95 1177.00 1 4 2 0 18750.5 1328.76 3 6 -4 0 18555.2 1335.11 3 6 -4 1 12197.8 1044.30 3 6 -2 -1 6097.97 751.425 3 4 2 1 12327.7 830.907 2 6 -2 1 6000.32 727.878 3 4 2 1 13128.7 1108.01 3 6 -4 -1 12541.2 1098.59 3 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664.505 3 -2 -5 3 1276.89 435.212 1 7 -2 -3 1162.44 344.861 3 2 5 4 31157.3 2448.78 2 -7 5 4 25103.8 2049.42 2 7 -2 4 34026.8 1936.58 3 7 -2 4 31835.2 2242.89 1 7 -5 4 23558.7 1521.63 3 7 -5 -4 25122.9 1757.70 3 -5 7 4 31821.3 2511.70 2 2 -7 4 24134.9 2256.71 1 -5 -2 4 23677.5 1992.74 1 -2 7 4 24635.1 2268.55 2 5 -7 4 30637.9 2518.34 1 7 -5 4 24492.3 2141.78 1 -2 -5 4 31343.5 2379.05 1 7 -2 -4 30979.1 1820.73 3 -7 5 5 175.301 219.491 2 5 -7 5 434.104 430.098 1 2 -7 5 387.166 405.654 1 7 -5 5 599.785 368.771 1 7 -2 5 295.865 257.689 1 -2 7 5 539.752 312.821 2 -5 7 5 641.513 388.831 2 -2 -5 5 455.323 352.695 1 -5 -2 5 132.085 203.931 1 5 -7 6 8945.12 1649.47 1 -5 7 6 7608.32 1507.35 2 7 -5 6 5794.82 1296.50 1 2 -7 6 6788.06 1448.09 1 -2 7 6 5257.84 1251.27 2 -2 -5 6 9442.14 1639.52 1 -5 -2 6 6946.36 1391.23 1 7 -2 6 8502.19 1490.86 1 -5 -2 7 1000.25 591.554 1 7 -2 7 827.135 503.381 1 -2 -5 7 901.457 542.192 1 7 -5 7 1051.90 647.886 1 5 -7 7 811.682 452.290 1 2 -7 7 1112.38 648.660 1 7 -5 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7 -1 -4 1464.66 431.711 3 7 -6 4 2811.72 561.275 3 6 -7 4 1994.32 658.892 1 6 1 4 2520.10 624.886 1 7 -6 4 2511.69 700.223 1 -1 -6 5 8768.72 1460.09 1 -7 6 5 12934.6 1732.20 2 -1 7 5 12555.5 1808.15 2 -6 7 5 8536.44 1440.38 2 1 6 5 9557.00 1540.64 2 7 -1 5 7831.38 1256.23 1 6 1 5 14030.1 1726.22 1 -6 -1 5 13192.4 1708.16 1 6 -7 5 8905.76 1508.92 1 1 -7 5 12856.4 1799.83 1 7 -6 5 12832.1 1764.27 1 -1 7 6 2166.12 779.648 2 1 -7 6 1966.40 786.567 1 7 -6 6 1954.36 744.779 1 -1 -6 6 2794.55 886.525 1 -6 7 6 2667.19 860.193 2 6 -7 6 2981.44 958.515 1 7 -1 6 2751.98 855.418 1 -6 -1 6 1972.27 757.474 1 7 -6 7 4060.95 1180.76 1 7 -1 7 2048.64 872.844 1 6 -7 7 3059.85 1064.08 1 -1 -6 7 2431.12 957.568 1 1 -7 7 4791.12 1390.17 1 7 0 0 18095.4 1477.91 3 7 0 1 56253.4 2626.09 3 7 0 -1 54488.2 2564.35 3 7 0 -2 7964.54 986.752 3 7 0 2 8887.32 1062.97 3 7 0 2 9168.59 759.289 1 7 0 3 44864.3 2179.26 1 -7 7 3 43983.7 2636.27 2 0 7 3 40894.1 2618.53 2 7 0 3 45264.9 2469.05 3 7 0 -3 45496.3 2430.33 3 0 7 4 9098.65 1385.13 2 7 0 -4 8783.09 1057.35 3 7 0 4 8944.47 1161.36 1 -7 0 4 10705.6 1402.46 1 7 -7 4 8848.18 989.136 3 7 -7 4 9823.48 1430.76 1 -7 7 4 8958.24 1325.02 2 0 -7 4 8070.74 1263.99 1 7 -7 -4 8651.52 1104.74 3 0 7 5 8044.45 1460.13 2 -7 7 5 8135.43 1396.60 2 7 0 5 7446.10 1229.83 1 7 -7 5 6267.94 1260.09 1 0 -7 5 7872.25 1419.83 1 -7 7 6 5262.45 1239.71 2 7 -7 6 4488.78 1197.91 1 0 -7 6 4421.33 1133.27 1 7 0 6 4566.00 1116.00 1 7 -7 7 6249.91 1518.10 1 0 -7 7 7171.82 1637.46 1 8 -4 0 272532. 5852.68 3 4 4 1 1265.41 310.720 2 8 -4 1 1306.75 388.688 3 8 -4 -1 1334.87 406.184 3 4 4 2 354752. 6214.72 2 -4 -4 2 353421. 5784.71 1 8 -4 -2 359153. 6911.46 3 8 -4 2 368349. 6855.53 3 -8 4 2 351772. 5336.30 2 4 4 3-44.5317 61.4712 2 -8 4 3 50.5199 111.794 2 -4 -4 3 11.3411 46.4144 1 8 -4 3 24.5727 122.113 3 8 -4 -3-7.59668 114.185 3 8 -4 3 29.9475 56.7159 1 -8 4 4 124754. 4376.09 2 -4 -4 4 117888. 4543.50 1 8 -4 -4 120277. 3906.17 3 -4 8 4 117294. 4982.19 2 8 -4 4 120494. 3708.84 3 4 -8 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1582.04 3 8 -5 3 17752.9 1612.70 1 -3 -5 3 12459.8 1324.88 1 8 -3 3 10850.6 1158.82 1 3 5 4 5983.92 1091.40 2 8 -3 4 5158.13 913.631 1 -8 5 4 9489.45 1238.52 2 8 -5 4 9203.41 1036.43 3 -5 8 4 4435.43 971.684 2 5 -8 4 5345.41 1066.08 1 -3 -5 4 5374.58 992.916 1 -5 -3 4 8774.06 1223.82 1 8 -3 4 5020.43 767.757 3 3 -8 4 8227.77 1326.26 1 8 -3 -4 5163.00 808.697 3 -3 8 4 8996.69 1390.81 2 8 -5 -4 10649.4 1209.51 3 8 -5 4 9293.87 1320.22 1 -3 8 5 12413.7 1816.08 2 -5 8 5 7500.65 1393.14 2 -3 -5 5 8783.52 1425.12 1 8 -5 5 13833.9 1807.62 1 8 -3 5 7307.19 1228.07 1 -5 -3 5 12679.7 1675.44 1 5 -8 5 7783.59 1463.97 1 3 -8 5 11409.4 1756.86 1 -5 -3 6 3576.48 1001.84 1 5 -8 6 3159.63 1030.95 1 -3 8 6 3696.48 1087.06 2 -5 8 6 2225.06 837.683 2 8 -5 6 3630.31 1025.62 1 8 -3 6 2549.02 827.840 1 3 -8 6 2498.90 918.952 1 -3 -5 6 2373.78 783.676 1 8 -3 7 1115.03 612.756 1 -5 -3 7 3106.23 1029.82 1 3 -8 7 2944.21 1098.77 1 8 -5 7 2362.37 908.120 1 -3 -5 7 835.491 548.410 1 5 -8 7 945.261 571.903 1 8 -3 8 1270.37 741.224 1 8 -6 0 792.355 328.849 3 6 2 0 695.168 317.429 3 8 -2 0 451.041 272.193 3 8 -6 -1 8753.22 1091.64 3 -8 2 1 9706.05 472.378 2 6 2 -1 9373.04 1115.98 3 8 -2 1 10091.2 1132.50 3 -6 -2 1 9242.35 586.614 1 8 -6 1 10161.3 1162.90 3 6 2 1 9403.34 1111.92 3 8 -2 1 10151.8 669.421 1 8 -2 -1 9346.46 1092.00 3 8 -6 -2 2652.01 603.641 3 8 -2 2 2548.46 434.344 1 6 2 -2 2512.47 568.011 3 2 6 2 2294.26 556.705 2 8 -2 2 2125.24 531.914 3 8 -2 -2 2034.74 510.508 3 -6 -2 2 2314.06 423.046 1 8 -6 2 2453.34 545.938 3 8 -2 3 10353.5 1082.40 1 8 -2 3 9688.85 1104.19 3 8 -2 -3 10087.4 1135.08 3 -6 -2 3 8785.72 1041.75 1 8 -6 -3 8738.61 1083.49 3 -8 6 3 8136.76 1064.74 2 2 6 3 10476.5 1315.31 2 -2 -6 3 10465.7 1241.30 1 -2 8 3 8809.77 1276.82 2 8 -6 3 8531.15 1037.99 3 2 6 4 500.153 320.857 2 -8 6 4 226.220 182.839 2 -2 8 4 496.931 379.236 2 8 -2 4 209.489 188.262 3 8 -2 -4 249.479 142.887 3 -2 -6 4 574.690 374.790 1 -6 8 4 245.673 291.424 2 2 -8 4 589.316 404.314 1 8 -6 4 512.670 218.252 3 -6 -2 4 457.557 262.956 1 6 -8 4 727.723 464.140 1 8 -6 -4 450.244 222.591 3 8 -6 4 523.905 364.955 1 8 -2 4 457.021 314.951 1 2 6 5 5179.01 1162.07 2 -2 -6 5 4776.64 1061.92 1 2 -8 5 3018.71 866.882 1 -6 8 5 5874.75 1232.12 2 -6 -2 5 4821.53 1031.17 1 8 -6 5 4182.18 995.787 1 -8 6 5 3716.13 918.778 2 -2 8 5 4034.39 1049.42 2 8 -2 5 6029.20 1121.09 1 6 -8 5 5541.32 1208.32 1 -6 8 6 415.209 316.208 2 2 -8 6 1579.79 672.001 1 -2 8 6 880.731 550.132 2 6 -8 6 973.892 594.407 1 8 -2 6 866.420 544.600 1 -2 -6 6 878.483 525.439 1 -6 -2 6 1852.43 727.788 1 8 -6 6 1945.32 770.364 1 8 -6 7 5607.69 1389.12 1 -2 -6 7 5766.35 1444.39 1 -6 -2 7 5065.97 1365.35 1 8 -2 7 6427.26 1464.24 1 2 -8 7 5894.06 1470.27 1 6 -8 7 6095.44 1501.17 1 7 1 0 48672.6 2602.62 3 8 -1 0 85361.3 3349.36 3 7 1 1 745.692 296.696 3 7 1 -1 1192.51 404.190 3 8 -1 1 786.219 348.120 3 8 -1 -1 494.694 256.470 3 8 -1 1 522.314 117.982 1 8 -1 2 124189. 4077.04 3 8 -1 -2 123944. 4035.64 3 7 1 2 91044.4 3652.95 3 -7 -1 2 98460.3 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589.495 1 -4 -6 2 3480.36 629.418 1 4 6 3 4063.38 833.685 2 -6 -4 3 2822.50 599.446 1 10 -4 3 4330.89 836.427 3 10 -6 3 3328.01 723.106 3 -10 6 3 2376.26 569.273 2 -4 -6 3 4196.24 805.849 1 10 -6 3 2701.54 657.063 1 10 -4 -3 3706.04 803.153 3 10 -6 -3 2304.75 634.924 3 10 -4 3 4089.79 743.609 1 10 -6 4 2736.91 725.095 1 -10 6 4 2679.61 658.579 2 -6 -4 4 3285.80 741.889 1 4 6 4 1614.13 560.910 2 10 -6 4 2976.46 673.344 3 10 -4 4 1783.37 553.772 1 -4 10 4 3242.42 898.052 2 -6 10 4 1484.76 620.332 2 10 -4 4 1304.36 429.883 3 -4 -6 4 1515.20 548.893 1 10 -4 -4 1317.83 421.489 3 10 -6 -4 2665.98 684.984 3 10 -6 5 1934.27 686.422 1 -4 10 5 2168.61 786.441 2 -6 10 5 2303.19 844.145 2 -6 -4 5 1861.60 640.208 1 -4 -6 5 2623.36 784.690 1 6 -10 5 2475.65 908.917 1 4 -10 5 1923.13 731.211 1 10 -4 5 2095.20 677.511 1 6 -10 6 3728.53 1168.83 1 -6 -4 6 3810.73 1055.08 1 -4 -6 6 4358.13 1116.24 1 10 -4 6 3927.64 1029.76 1 -6 10 6 3143.95 1031.26 2 -4 10 6 3821.59 1133.96 2 4 -10 6 2390.90 867.598 1 10 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620.455 303.606 1 -7 -3 4 2776.08 699.978 1 3 7 5 4504.37 1090.83 2 -10 7 5 7127.22 1280.39 2 -3 -7 5 5121.38 1139.16 1 -3 10 5 6151.25 1372.15 2 10 -3 5 4830.56 1001.99 1 -7 10 5 4913.40 1199.82 2 -7 -3 5 6976.56 1258.02 1 3 -10 5 6581.11 1404.93 1 7 -10 5 4597.51 1163.87 1 10 -7 5 7978.69 1436.86 1 -3 -7 6 2025.18 793.154 1 7 -10 6 2542.50 1039.61 1 3 -10 6 1440.36 713.830 1 -7 -3 6 1913.03 782.208 1 -3 10 6 1493.65 642.360 2 -7 10 6 2102.99 803.213 2 10 -7 6 1330.15 657.101 1 10 -7 7 1130.69 625.619 1 7 -10 7 973.876 669.370 1 -3 -7 7 1174.08 634.490 1 3 -10 7 1836.77 893.288 1 -7 -3 7 1630.49 767.110 1 10 -8 0 1430.71 533.328 3 10 -2 0 2604.16 656.969 3 8 2 0 1941.51 553.766 3 8 2 -1 6571.95 1067.40 3 10 -8 1 6917.43 1091.71 3 10 -2 1 1636.90 513.516 3 10 -2 -1 1595.80 543.073 3 8 2 1 6572.49 1078.38 3 10 -8 -1 6127.54 1073.25 3 10 -2 2 1183.44 430.280 3 10 -2 -2 879.123 366.320 3 8 2 -2 743.114 350.600 3 10 -8 2 1084.66 435.665 3 10 -8 -2 1246.27 467.509 3 2 8 3 1505.27 521.069 2 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618.550 1 12 -6 0 40541.1 2938.60 3 12 -6 1 2082.00 650.448 3 12 -6 -1 1961.17 633.049 3 6 6 2 4514.89 777.290 2 12 -6 2 4233.56 910.398 3 12 -6 -2 4559.22 988.569 3 6 6 3 1389.73 514.213 2 12 -6 3 1109.14 426.498 3 12 -6 -3 920.110 429.283 3 12 -6 3 1514.41 485.745 1 12 -6 4 5006.75 1006.08 3 12 -6 -4 5032.94 999.073 3 -6 12 4 5035.54 1209.73 2 -6 12 5 971.312 560.794 2 6 -12 5 981.524 578.049 1 -6 12 6 8522.56 1774.38 2 6 -12 6 9929.38 1979.10 1 12 -5 0 8409.63 1274.26 3 12 -7 0 11123.9 1505.92 3 5 7 1 44179.2 2277.44 2 12 -5 1 44597.9 2947.44 3 12 -5 -1 42435.3 2897.81 3 12 -7 1 23759.5 2252.31 3 12 -7 -1 21136.8 2093.60 3 12 -5 2 16986.9 1829.72 3 12 -5 -2 17210.5 1842.82 3 12 -7 -2 11653.1 1608.98 3 12 -7 2 12204.6 1593.54 3 -5 -7 2 17779.5 1454.58 1 5 7 2 18782.5 1661.13 2 5 7 3 29894.4 2338.90 2 12 -5 3 29691.7 2442.13 3 12 -5 -3 28731.5 2426.84 3 12 -7 3 14691.4 1696.44 3 12 -7 -3 15151.7 1826.13 3 12 -7 3 14782.1 1589.02 1 -5 -7 3 29025.7 2100.85 1 5 7 4 6466.18 1217.90 2 -5 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12227.0 1568.20 3 12 -4 -4 11020.1 1514.59 3 -4 12 4 11441.8 1831.70 2 -8 12 4 12465.5 1876.86 2 12 -8 4 10003.2 1396.86 3 12 -8 -4 10782.5 1571.01 3 12 -8 4 9815.70 1486.59 1 -4 -8 4 12723.7 1636.04 1 4 8 5 38991.5 3352.86 2 -4 -8 5 36630.9 3084.40 1 -4 12 5 37284.2 3570.44 2 -8 12 5 35581.3 3417.55 2 8 -12 5 37315.7 3596.27 1 4 -12 5 39489.6 3648.60 1 12 -8 5 39630.3 3282.80 1 8 -12 6 3811.12 1221.65 1 12 -8 6 8227.71 1618.19 1 -4 -8 6 5246.26 1294.04 1 -4 12 6 9066.41 1867.57 2 -8 12 6 6101.36 1519.30 2 4 -12 6 7601.15 1711.31 1 12 -3 0 22120.4 2141.38 3 12 -9 0 43751.4 3009.65 3 12 -3 1 1489.36 554.009 3 12 -3 -1 1738.03 566.104 3 12 -9 1 424.395 209.763 3 12 -9 -1 236.586 157.233 3 3 9 2 3494.41 800.417 2 12 -9 2 7745.45 1260.07 3 12 -9 -2 7362.64 1247.87 3 12 -3 2 2968.29 789.469 3 12 -3 -2 3107.63 796.900 3 3 9 3 1110.12 518.748 2 12 -3 3 334.211 237.834 3 -12 9 3 368.336 259.697 2 12 -3 -3 322.718 221.571 3 -3 -9 3 825.258 416.896 1 12 -9 3 161.336 284.985 3 12 -9 -3 233.144 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2434.39 942.472 1 12 0 0 99390.1 5015.68 3 12 0 1 584.947 363.102 3 12 0 -1 519.139 298.380 3 12 0 2 39610.1 3202.03 3 12 0 -2 41626.5 3229.62 3 12 -12 -3 256.907 284.827 3 12 0 3 462.549 447.548 3 12 0 -3 261.066 316.344 3 0 12 3 486.083 300.759 2 12 -12 3 258.535 244.656 3 0 12 4 48189.5 3828.48 2 -12 12 4 46894.3 3588.46 2 12 -12 -4 49676.7 3614.94 3 0 -12 4 53987.9 3927.03 1 0 -12 5 914.391 554.431 1 0 12 5 757.129 547.996 2 -12 12 5 457.592 292.312 2 12 -12 5 151.993 121.007 1 0 12 6 16126.7 2540.72 2 -12 12 6 15256.2 2330.07 2 12 -12 6 15932.1 2496.62 1 0 -12 6 15133.0 2400.81 1 13 -6 0 4218.86 945.420 3 13 -7 0 1988.30 688.408 3 13 -6 1 1031.47 402.647 3 13 -6 -1 946.651 430.143 3 13 -7 1 3600.01 910.783 3 13 -7 -1 4158.37 970.697 3 13 -6 2 5916.59 1144.66 3 13 -6 -2 7053.41 1244.82 3 13 -7 2 4388.05 977.043 3 13 -7 -2 5710.24 1188.23 3 6 7 3 5182.08 990.809 2 13 -6 3 5036.62 1062.08 3 13 -6 -3 4648.97 1020.23 3 13 -7 3 7970.45 1312.97 3 13 -7 -3 8672.77 1410.91 3 -6 13 4 1144.26 638.442 2 13 -6 4 2128.28 644.440 3 -7 13 4 2252.45 840.278 2 13 -7 4 1196.51 475.445 3 13 -6 -4 2172.10 694.441 3 13 -7 -4 1048.03 474.878 3 -6 13 5 7076.12 1555.56 2 -7 13 5 4332.60 1235.94 2 6 -13 5 8324.77 1710.79 1 7 -13 5 4141.82 1225.23 1 7 -13 6 2915.70 1123.06 1 6 -13 6 2649.56 1105.34 1 -6 13 6 3153.51 1116.56 2 -7 13 6 2433.11 1010.64 2 13 -5 0 1195.02 486.485 3 13 -8 0 421.793 308.293 3 5 8 1 6123.51 908.160 2 13 -5 1 5684.49 1108.63 3 13 -5 -1 5697.75 1144.79 3 13 -8 1 1194.60 515.385 3 13 -8 -1 1377.26 561.724 3 5 8 2 9084.87 1217.96 2 13 -5 2 8683.24 1386.57 3 13 -5 -2 9462.69 1468.58 3 13 -8 2 4744.06 1059.00 3 13 -8 -2 5450.47 1141.72 3 5 8 3 1699.44 602.733 2 13 -5 3 1772.25 642.052 3 13 -8 3 1980.61 655.207 1 13 -5 -3 1271.23 546.361 3 13 -8 3 2126.41 733.215 3 13 -8 -3 2304.51 743.910 3 5 8 4 3297.30 914.406 2 13 -5 4 2735.32 776.693 3 -5 13 4 2416.06 838.912 2 13 -5 -4 2822.10 785.784 3 -8 13 4 3855.42 1098.53 2 13 -8 4 2845.89 801.279 3 13 -8 -4 2950.35 840.071 3 13 -8 4 2989.53 827.994 1 -5 13 5 1435.96 755.353 2 -8 13 5 1817.89 802.402 2 8 -13 5 2734.11 1012.11 1 5 -13 5 1003.32 647.190 1 8 -13 6 1636.47 783.547 1 5 -13 6 1009.14 665.311 1 -5 13 6 949.339 592.257 2 -8 13 6 1558.15 839.476 2 13 -4 0 5713.89 1144.20 3 13 -9 0 2473.31 731.969 3 13 -4 1 935.551 467.982 3 13 -4 -1 801.996 405.052 3 13 -9 1 924.986 502.254 3 13 -9 -1 818.367 401.885 3 4 9 2 2104.24 586.973 2 13 -4 2 1626.49 606.932 3 13 -4 -2 1857.71 653.503 3 13 -9 2 1628.71 618.865 3 13 -9 -2 1752.19 640.021 3 4 9 3 4706.94 990.312 2 13 -4 3 4827.96 1026.83 3 13 -4 -3 4617.47 1003.93 3 13 -9 3 3530.75 921.433 3 13 -9 -3 3819.75 961.863 3 4 9 4 1802.29 657.433 2 13 -4 4 1923.34 681.311 3 -4 13 4 445.625 402.607 2 13 -4 -4 1970.75 669.267 3 -9 13 4 1678.94 701.224 2 13 -9 4 893.280 464.471 3 13 -9 -4 832.720 428.971 3 13 -9 4 950.887 497.824 1 4 9 5 881.933 476.992 2 13 -9 5 1136.72 593.359 1 -4 13 5 1091.59 597.636 2 -9 13 5 906.784 630.192 2 9 -13 5 991.746 555.618 1 4 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1333.61 1 10 -13 6 3644.60 1162.60 1 3 -13 6 2901.53 1034.43 1 13 -10 6 2712.74 978.499 1 -3 13 6 3312.61 1123.77 2 -10 13 6 3796.17 1243.34 2 11 2 0 3120.06 869.719 3 13 -2 0 637.215 417.509 3 13 -11 0 3105.01 912.317 3 11 2 -1 670.956 369.398 3 13 -2 1 587.183 358.593 3 13 -2 -1 771.163 416.912 3 13 -11 1 660.769 436.170 3 13 -11 -1 673.751 435.705 3 13 -2 2 1896.88 669.600 3 13 -2 -2 2558.84 804.517 3 13 -11 2 2448.67 770.182 3 13 -11 -2 2519.95 813.424 3 13 -2 3 878.875 500.458 3 2 11 3 678.776 407.949 2 13 -2 -3 295.997 336.732 3 -2 -11 3 651.396 347.262 1 13 -11 3 276.385 380.267 3 13 -11 -3 360.801 269.046 3 2 11 4 9661.40 1673.49 2 13 -2 4 9163.91 1526.63 3 13 -2 -4 9712.27 1588.82 3 -13 11 4 11242.1 1663.84 2 -2 13 4 9989.06 1749.58 2 -11 13 4 7099.59 1470.91 2 13 -11 -4 10582.5 1640.77 3 2 -13 4 12166.7 1914.70 1 13 -11 4 10986.3 1744.16 1 -2 -11 4 9250.90 1533.38 1 -2 -11 5 1330.96 686.436 1 2 11 5 1127.69 666.116 2 -2 13 5 1235.12 723.192 2 -11 13 5 810.601 516.528 2 11 -13 5 1223.64 677.523 1 2 -13 5 566.220 537.211 1 13 -11 5 467.239 347.957 1 2 11 6 3967.86 1221.72 2 11 -13 6 3750.72 1180.87 1 2 -13 6 7333.02 1646.11 1 -2 13 6 6806.78 1646.27 2 -11 13 6 4185.96 1268.06 2 -2 -11 6 4016.76 1197.13 1 13 -11 6 7556.54 1649.24 1 13 -12 0 408.719 330.551 3 12 1 0 486.980 435.886 3 12 1 1 8164.47 1483.16 3 12 1 -1 8563.84 1501.29 3 13 -1 1 12551.9 1840.09 3 13 -1 -1 12933.9 1810.81 3 13 -12 1 7884.54 1444.64 3 13 -12 -1 7873.84 1468.70 3 12 1 2 381.172 235.863 3 12 1 -2 645.386 415.180 3 13 -1 2 2248.08 786.052 3 13 -1 -2 2440.08 769.471 3 13 -12 2 618.475 442.610 3 13 -12 -2 838.347 493.976 3 13 -1 3 10745.1 1704.80 3 13 -1 -3 11850.5 1770.48 3 1 12 3 9905.18 1614.73 2 13 -12 3 6458.46 1270.32 3 13 -12 -3 5847.41 1262.27 3 12 -13 3 10305.8 1647.30 3 1 12 4 1352.25 652.918 2 13 -1 -4 1662.02 664.900 3 -1 13 4 427.030 425.659 2 -13 12 4 427.595 333.016 2 -12 13 4 1484.08 685.877 2 1 -13 4 542.767 397.869 1 -1 -12 4 1792.16 723.175 1 13 -12 -4 1001.13 516.411 3 12 -13 -4 1357.05 610.858 3 -1 -12 5 1808.97 773.353 1 1 12 5 2445.77 966.609 2 -13 12 5 1109.96 584.570 2 -1 13 5 2060.02 825.019 2 -12 13 5 1965.88 842.417 2 12 -13 5 1619.25 728.892 1 13 -12 5 1778.46 773.247 1 1 -13 5 1945.55 812.969 1 12 -13 6-75.1870 265.182 1 13 -12 6 232.353 310.412 1 1 -13 6 183.738 268.070 1 1 12 6 160.398 170.039 2 -1 13 6 862.431 642.364 2 -12 13 6 112.922 198.338 2 -1 -12 6 0.70183 159.435 1 13 0 0 7864.93 1485.28 3 13 0 1 2334.08 804.702 3 13 0 -1 1695.35 691.021 3 13 -13 2 1919.29 740.633 3 13 0 2 1496.90 658.851 3 13 0 -2 1590.54 671.975 3 13 0 -3 2185.68 798.228 3 0 13 3 2396.27 853.379 2 13 -13 3 1429.27 586.082 3 13 -13 -3 2006.09 801.160 3 0 13 4 2154.23 833.547 2 -13 13 4 1792.24 783.601 2 0 -13 4 2080.22 823.648 1 13 -13 -4 2190.82 795.775 3 0 -13 5 762.273 519.748 1 0 13 5 936.860 555.592 2 -13 13 5 1482.71 698.967 2 13 -13 5 944.246 599.988 1 13 -13 6 1123.96 732.883 1 0 -13 6 1450.20 773.809 1 14 -7 0 917.574 501.355 3 14 -7 1 457.008 350.360 3 14 -7 -1 359.627 301.689 3 14 -7 2 1702.45 617.885 3 14 -7 -2 2180.44 768.659 3 14 -7 3 988.586 486.316 3 14 -7 -3 1644.32 660.754 3 14 -7 4 1364.13 547.729 3 -7 14 4 1668.07 786.872 2 14 -7 -4 1171.90 507.190 3 -7 14 5 172.144 203.803 2 7 -14 5-99.2290 282.607 1 -7 14 6 929.226 637.619 2 7 -14 6 993.252 654.008 1 14 -6 0 599.392 385.171 3 14 -8 0 105.455 153.392 3 14 -6 1 2619.40 814.842 3 14 -6 -1 2215.68 717.313 3 14 -8 1 1089.27 564.423 3 14 -8 -1 751.424 480.291 3 14 -6 2 1032.03 546.353 3 14 -6 -2 218.518 105.589 3 14 -8 2 944.461 508.651 3 14 -8 -2 493.575 374.061 3 14 -6 3 3781.90 973.718 3 14 -6 -3 3155.65 873.568 3 14 -8 3 376.772 301.882 3 14 -8 -3 960.921 494.221 3 14 -6 4 617.385 379.548 3 -6 14 4 844.748 604.274 2 -8 14 4 558.798 381.424 2 14 -6 -4 733.567 416.072 3 14 -8 4 479.192 279.484 3 14 -8 -4 339.088 283.240 3 -6 14 5 796.024 564.963 2 -8 14 5 1391.69 689.945 2 8 -14 5 1421.13 711.147 1 6 -14 5 1475.92 818.342 1 6 -14 6 759.221 395.294 1 -6 14 6 788.719 509.058 2 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564.656 3 14 -11 3 3533.34 977.497 3 14 -11 -3 3727.68 1000.22 3 3 11 4 3281.78 1015.71 2 14 -3 4 2810.17 852.923 3 14 -3 -4 2542.84 804.336 3 -3 14 4 2304.73 850.846 2 -11 14 4 2751.32 921.040 2 14 -11 4 1644.69 677.619 1 14 -11 -4 2375.69 857.296 3 3 11 5 8125.07 1656.77 2 -3 14 5 7730.34 1736.06 2 -11 14 5 6686.74 1550.61 2 11 -14 5 6425.19 1573.39 1 3 -14 5 6274.00 1515.36 1 14 -11 5 7224.33 1544.04 1 -11 14 6 1340.36 653.799 2 14 -2 0 1857.59 695.168 3 14 -12 0 1627.29 709.655 3 14 -2 1 1962.50 746.570 3 14 -2 -1 1572.77 666.513 3 14 -12 1 3139.51 893.119 3 14 -12 -1 3351.97 967.790 3 14 -2 2 533.552 309.218 3 14 -2 -2 1019.62 504.089 3 14 -12 2 702.707 433.243 3 14 -12 -2 906.145 538.827 3 14 -2 3 1253.86 553.370 3 14 -2 -3 1041.53 548.877 3 2 12 3 1773.23 690.378 2 14 -12 3 720.364 426.030 3 14 -12 -3 615.202 361.987 3 14 -2 4 3741.69 1005.73 3 2 12 4 4317.86 1171.95 2 14 -2 -4 2614.25 879.924 3 -2 14 4 2241.35 895.308 2 -12 14 4 2995.48 1006.50 2 14 -12 4 2535.77 897.000 1 2 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1293.50 1 13 -14 -4 4733.72 1205.55 3 1 13 5 1016.20 533.304 2 -1 14 5 577.406 470.206 2 -13 14 5 345.021 268.429 2 13 -14 5 1065.98 617.938 1 14 -13 5 916.181 606.342 1 1 -14 5 1030.62 642.666 1 14 0 0 431.157 318.185 3 14 -14 1 1423.90 634.001 3 14 0 1 1456.46 618.843 3 14 0 -1 1182.38 616.973 3 14 -14 -2 1234.20 568.526 3 14 0 2 1766.27 748.094 3 14 0 -2 1801.84 768.354 3 14 -14 2 1501.72 638.585 3 14 0 -3 831.342 495.047 3 0 14 3 1004.11 577.788 2 14 -14 3 618.126 366.926 3 14 -14 -3 417.869 412.840 3 0 14 4 458.691 462.052 2 -14 14 4 63.0116 153.188 2 0 -14 4 458.551 378.489 1 14 -14 -4 176.920 275.949 3 0 -14 5 3694.00 1132.28 1 0 14 5 2889.60 1094.15 2 14 -14 5 2257.56 992.724 1 15 -8 0 6711.42 1351.21 3 15 -7 0 3249.90 895.325 3 15 -7 1 11875.8 1780.27 3 15 -7 -1 12022.6 1780.19 3 15 -8 1 25053.6 2573.46 3 15 -8 -1 22546.2 2484.84 3 15 -7 2 5483.69 1205.52 3 15 -7 -2 5021.78 1156.77 3 15 -8 2 11832.2 1765.97 3 15 -8 -2 10940.5 1736.56 3 15 -7 3 8663.97 1534.96 3 15 -7 -3 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2260.72 946.518 3 19 -15 0 1887.81 849.273 3 19 -4 1 14977.6 2482.78 3 19 -4 -1 17734.0 2688.08 3 19 -15 1 11682.6 2204.80 3 19 -15 -1 12945.3 2334.08 3 19 -15 2 1822.28 883.208 3 20 -10 0-206.909 372.760 3 20 -10 1 1456.87 661.771 3 20 -10 -1 1708.99 794.166 3 20 -10 2 334.476 310.290 3 20 -9 0 3648.70 1152.43 3 20 -11 0 2402.09 936.726 3 20 -9 1 11665.1 2121.02 3 20 -9 -1 11651.4 2105.20 3 20 -11 1 2535.50 959.504 3 20 -11 -1 3190.69 1139.27 3 20 -11 2 551.979 437.933 3 20 -8 0 5161.58 1394.29 3 20 -12 0 5811.59 1496.19 3 20 -8 1 13212.0 2268.93 3 20 -8 -1 13051.0 2254.35 3 20 -12 1 13083.2 2246.87 3 20 -12 -1 13117.5 2244.97 3 20 -13 0 8705.65 1860.37 3 20 -7 0 3759.03 1165.04 3 0 0 0 0.00 0.00 0 TITL IK8837p_100 in P6(3)/mmc REM P6(3)/mmc (#194 in standard setting) CELL 0.71073 12.816594 12.816594 5.356161 90.0000 90.0000 120.0000 ZERR 4.00 0.000934 0.000934 0.000337 0.0000 0.0000 0.0000 LATT 1 SYMM -y, x-y, z SYMM -x+y,-x, z SYMM -x,-y, z+1/2 SYMM y,-x+y, z+1/2 SYMM x-y, x, z+1/2 SYMM y, x,-z SYMM x-y,-y,-z SYMM -x,-x+y,-z SYMM -y,-x,-z+1/2 SYMM -x+y, y,-z+1/2 SYMM x, x-y,-z+1/2 SFAC C H O Si UNIT 36.00 48.00 8.00 4.00 TREF HKLF 4 END ; _shelx_hkl_checksum 19182