data_ellingsenite1_0ma _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Ca6 Na5 O60 Si18' _chemical_formula_weight 1821.05 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' 'Na' 'Na' 0.0362 0.0249 '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' 'Ca' 'Ca' 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 9.576(11) _cell_length_b 9.577(11) _cell_length_c 16.438(19) _cell_angle_alpha 85.85(2) _cell_angle_beta 75.23(2) _cell_angle_gamma 60.142(14) _cell_volume 1262(3) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.397 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 907 _exptl_absorpt_coefficient_mu 1.256 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13949 _diffrn_reflns_av_R_equivalents 0.1214 _diffrn_reflns_av_sigmaI/netI 0.1735 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 1.28 _diffrn_reflns_theta_max 28.19 _reflns_number_total 6121 _reflns_number_gt 3553 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.1795P)^2^+201.5815P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.046(8) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 6121 _refine_ls_number_parameters 153 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.3053 _refine_ls_R_factor_gt 0.2466 _refine_ls_wR_factor_ref 0.5600 _refine_ls_wR_factor_gt 0.5264 _refine_ls_goodness_of_fit_ref 1.089 _refine_ls_restrained_S_all 1.089 _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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Na1 Na 0.5000 0.0000 -0.5000 0.021(4) Uiso 1.03(6) 2 d SP . . Na2 Na 0.8448(13) -0.2128(13) -0.7107(6) 0.017(3) Uiso 0.86(4) 1 d P . . Ca1 Ca 0.3564(6) -0.2907(6) -0.5025(3) 0.0152(10) Uiso 1 1 d . . . Ca2 Ca 1.0818(5) -0.8582(5) -0.5130(2) 0.0125(9) Uiso 1 1 d . . . Ca3 Ca 0.7756(8) -0.4159(7) -0.4942(3) 0.018(2) Uiso 0.55(6) 1 d P . . Na3 Na 0.7756(8) -0.4159(7) -0.4942(3) 0.018(2) Uiso 0.45(6) 1 d P . . Si1 Si 0.4595(8) -0.4440(8) -0.2301(4) 0.0166(13) Uiso 1 1 d . . . Si2 Si 0.8056(8) -0.6630(7) -0.3328(3) 0.0125(12) Uiso 1 1 d . . . Si3 Si 0.2987(8) 0.4577(8) -0.3268(4) 0.0139(12) Uiso 1 1 d . . . Si4 Si 0.0501(7) -0.0324(7) -0.3309(3) 0.0114(12) Uiso 1 1 d . . . Si5 Si 0.9247(8) -0.4153(8) -0.3246(4) 0.0147(12) Uiso 1 1 d . . . Si6 Si 0.4183(8) -0.1603(7) -0.3312(3) 0.0128(12) Uiso 1 1 d . . . Si7 Si 0.5453(8) 0.0888(7) -0.3254(3) 0.0135(12) Uiso 1 1 d . . . Si8 Si 0.7899(8) -0.1100(8) -0.2225(4) 0.0161(13) Uiso 1 1 d . . . O1 O 0.085(2) -0.0778(19) -0.4272(9) 0.015(3) Uiso 1 1 d . . . O2 O 0.930(3) -0.365(3) -0.4182(12) 0.033(4) Uiso 1 1 d . . . O3 O 0.664(2) 0.067(2) -0.4171(9) 0.019(3) Uiso 1 1 d . . . O4 O 0.370(2) 0.479(2) -0.4222(10) 0.021(3) Uiso 1 1 d . . . O5 O 0.815(2) -0.6616(19) -0.4293(9) 0.015(3) Uiso 1 1 d . . . O6 O 0.7816(19) -0.1980(18) -0.5624(9) 0.013(3) Uiso 1 1 d . . . O7 O 0.392(2) 0.271(2) -0.3022(10) 0.021(3) Uiso 1 1 d . . . O8 O 0.757(3) -0.091(3) -0.1237(13) 0.042(5) Uiso 1 1 d . . . O9 O 0.870(2) -0.550(2) -0.3030(10) 0.021(3) Uiso 1 1 d . . . O10 O 0.932(2) -0.841(2) -0.3092(9) 0.018(3) Uiso 1 1 d . . . O11 O 0.638(2) 0.044(2) -0.2506(9) 0.018(3) Uiso 1 1 d . . . O12 O 0.109(2) 0.496(2) -0.3075(10) 0.021(3) Uiso 1 1 d . . . O13 O 0.495(2) -0.231(2) -0.4249(9) 0.017(3) Uiso 1 1 d . . . O14 O 0.308(2) -0.438(2) -0.2593(10) 0.019(3) Uiso 1 1 d . . . O15 O 0.963(2) -0.121(2) -0.2697(10) 0.020(3) Uiso 1 1 d . . . O16 O 0.625(2) -0.606(2) -0.2730(10) 0.023(4) Uiso 1 1 d . . . O17 O 0.454(2) -0.018(2) -0.3154(9) 0.018(3) Uiso 1 1 d . . . O18 O 0.214(2) -0.072(2) -0.3035(10) 0.019(3) Uiso 1 1 d . . . O19 O 0.482(2) -0.291(2) -0.2622(10) 0.020(3) Uiso 1 1 d . . . O20 O 0.802(2) -0.272(2) -0.2505(10) 0.023(4) Uiso 1 1 d . . . O21 O 0.421(3) -0.440(3) -0.1317(13) 0.041(5) Uiso 1 1 d . . . O22 O 0.385(13) 0.084(13) -0.187(6) 0.050 Uiso 0.25(5) 1 d P . . O23 O 0.915(5) -0.222(4) -0.857(2) 0.050 Uiso 0.73(5) 1 d P . . _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 O6 2.387(15) . ? Na1 O6 2.387(15) 2_654 ? Na1 O13 2.469(16) 2_654 ? Na1 O13 2.469(16) . ? Na1 O3 2.638(16) . ? Na1 O3 2.638(16) 2_654 ? Na1 O17 2.958(15) . ? Na1 O17 2.958(15) 2_654 ? Na1 Si6 3.185(6) 2_654 ? Na1 Si6 3.185(6) . ? Na1 Si7 3.241(6) . ? Na1 Si7 3.241(6) 2_654 ? Na2 O23 2.32(3) . ? Na2 O6 2.354(17) . ? Na2 O18 2.51(2) 2_654 ? Na2 O12 2.53(2) 2_654 ? Na2 O10 2.54(2) 2_744 ? Na2 O17 2.54(2) 2_654 ? Na2 O7 2.54(2) 2_654 ? Na2 O9 2.59(2) 2_744 ? Na2 O22 2.84(10) 2_654 ? Na2 Si4 3.151(12) 2_654 ? Na2 Si6 3.177(13) 2_654 ? Na2 Si7 3.205(13) 2_654 ? Ca1 O13 2.330(16) . ? Ca1 O4 2.367(18) 2_654 ? Ca1 O3 2.384(17) 2_654 ? Ca1 O1 2.426(16) . ? Ca1 O5 2.429(16) 2_644 ? Ca1 O4 2.452(18) 1_545 ? Ca1 Si6 3.455(8) . ? Ca1 Si3 3.465(8) 2_654 ? Ca1 Si4 3.499(8) . ? Ca1 Si7 3.507(8) 2_654 ? Ca1 Ca1 3.567(10) 2_644 ? Ca1 Si2 3.596(8) 2_644 ? Ca2 O6 2.271(15) 2_744 ? Ca2 O3 2.303(17) 2_744 ? Ca2 O2 2.31(2) 2_744 ? Ca2 O5 2.402(16) . ? Ca2 O1 2.401(16) 2_644 ? Ca2 O1 2.437(16) 1_645 ? Ca2 Si4 3.340(7) 1_645 ? Ca2 Si2 3.339(7) . ? Ca2 Na3 3.530(8) 2_744 ? Ca2 Ca3 3.530(8) 2_744 ? Ca2 Si4 3.555(7) 2_644 ? Ca2 Si7 3.584(8) 2_744 ? Ca3 O6 2.315(16) . ? Ca3 O13 2.379(17) . ? Ca3 O2 2.39(2) . ? Ca3 O5 2.405(17) . ? Ca3 O4 2.475(18) 2_654 ? Ca3 O2 2.63(2) 2_744 ? Ca3 Si3 3.293(9) 2_654 ? Ca3 Si5 3.382(9) 2_744 ? Ca3 Si2 3.396(9) . ? Ca3 Si5 3.443(9) . ? Ca3 Ca2 3.530(8) 2_744 ? Si1 O21 1.56(2) . ? Si1 O16 1.599(19) . ? Si1 O14 1.613(18) . ? Si1 O19 1.619(18) . ? Si2 O5 1.566(15) . ? Si2 O16 1.591(18) . ? Si2 O10 1.614(17) . ? Si2 O9 1.640(18) . ? Si2 Na2 3.204(13) 2_744 ? Si2 Ca1 3.596(8) 2_644 ? Si3 O4 1.586(17) . ? Si3 O12 1.607(19) . ? Si3 O14 1.591(17) 1_565 ? Si3 O7 1.627(18) . ? Si3 Na2 3.216(13) 2_654 ? Si3 Na3 3.293(9) 2_654 ? Si3 Ca3 3.293(9) 2_654 ? Si3 Ca1 3.465(8) 2_654 ? Si4 O1 1.579(15) . ? Si4 O18 1.599(18) . ? Si4 O15 1.606(18) 1_455 ? Si4 O10 1.611(17) 1_465 ? Si4 Na2 3.151(12) 2_654 ? Si4 Ca2 3.340(7) 1_465 ? Si4 Ca2 3.555(7) 2_644 ? Si5 O2 1.57(2) . ? Si5 O9 1.605(18) . ? Si5 O20 1.627(18) . ? Si5 O12 1.629(19) 1_645 ? Si5 Na2 3.228(13) 2_744 ? Si5 Na3 3.382(9) 2_744 ? Si5 Ca3 3.382(9) 2_744 ? Si5 Ca2 3.592(8) 2_744 ? Si6 O13 1.565(16) . ? Si6 O17 1.618(17) . ? Si6 O19 1.616(17) . ? Si6 O18 1.643(18) . ? Si6 Na2 3.177(13) 2_654 ? Si7 O3 1.595(16) . ? Si7 O7 1.615(18) . ? Si7 O17 1.616(18) . ? Si7 O11 1.611(16) . ? Si7 Na2 3.205(13) 2_654 ? Si7 Ca1 3.507(8) 2_654 ? Si7 Ca2 3.584(8) 2_744 ? Si8 O15 1.593(18) . ? Si8 O20 1.597(19) . ? Si8 O8 1.58(2) . ? Si8 O11 1.615(17) . ? O1 Ca2 2.401(16) 2_644 ? O1 Ca2 2.437(16) 1_465 ? O2 Ca2 2.31(2) 2_744 ? O2 Na3 2.63(2) 2_744 ? O2 Ca3 2.63(2) 2_744 ? O3 Ca2 2.303(17) 2_744 ? O3 Ca1 2.384(17) 2_654 ? O4 Ca1 2.367(18) 2_654 ? O4 Ca1 2.452(18) 1_565 ? O4 Na3 2.475(18) 2_654 ? O4 Ca3 2.475(18) 2_654 ? O5 Ca1 2.429(16) 2_644 ? O6 Ca2 2.271(15) 2_744 ? O7 Na2 2.54(2) 2_654 ? O9 Na2 2.59(2) 2_744 ? O10 Si4 1.611(17) 1_645 ? O10 Na2 2.54(2) 2_744 ? O12 Si5 1.629(19) 1_465 ? O12 Na2 2.53(2) 2_654 ? O14 Si3 1.591(17) 1_545 ? O15 Si4 1.606(18) 1_655 ? O17 Na2 2.54(2) 2_654 ? O18 Na2 2.51(2) 2_654 ? O22 Na2 2.84(10) 2_654 ? 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 O6 Na1 O6 180.0(7) . 2_654 ? O6 Na1 O13 97.1(5) . 2_654 ? O6 Na1 O13 82.9(5) 2_654 2_654 ? O6 Na1 O13 82.9(5) . . ? O6 Na1 O13 97.1(5) 2_654 . ? O13 Na1 O13 180.000(1) 2_654 . ? O6 Na1 O3 78.2(5) . . ? O6 Na1 O3 101.8(5) 2_654 . ? O13 Na1 O3 79.0(5) 2_654 . ? O13 Na1 O3 101.0(5) . . ? O6 Na1 O3 101.8(5) . 2_654 ? O6 Na1 O3 78.2(5) 2_654 2_654 ? O13 Na1 O3 101.0(5) 2_654 2_654 ? O13 Na1 O3 79.0(5) . 2_654 ? O3 Na1 O3 180.000(1) . 2_654 ? O6 Na1 O17 106.4(5) . . ? O6 Na1 O17 73.6(5) 2_654 . ? O13 Na1 O17 122.7(5) 2_654 . ? O13 Na1 O17 57.3(5) . . ? O3 Na1 O17 57.0(5) . . ? O3 Na1 O17 123.0(5) 2_654 . ? O6 Na1 O17 73.6(5) . 2_654 ? O6 Na1 O17 106.4(5) 2_654 2_654 ? O13 Na1 O17 57.3(5) 2_654 2_654 ? O13 Na1 O17 122.7(5) . 2_654 ? O3 Na1 O17 123.0(5) . 2_654 ? O3 Na1 O17 57.0(5) 2_654 2_654 ? O17 Na1 O17 180.000(1) . 2_654 ? O6 Na1 Si6 78.5(4) . 2_654 ? O6 Na1 Si6 101.5(4) 2_654 2_654 ? O13 Na1 Si6 28.7(4) 2_654 2_654 ? O13 Na1 Si6 151.3(4) . 2_654 ? O3 Na1 Si6 96.4(4) . 2_654 ? O3 Na1 Si6 83.6(4) 2_654 2_654 ? O17 Na1 Si6 149.7(3) . 2_654 ? O17 Na1 Si6 30.3(3) 2_654 2_654 ? O6 Na1 Si6 101.5(4) . . ? O6 Na1 Si6 78.5(4) 2_654 . ? O13 Na1 Si6 151.3(4) 2_654 . ? O13 Na1 Si6 28.7(4) . . ? O3 Na1 Si6 83.6(4) . . ? O3 Na1 Si6 96.4(4) 2_654 . ? O17 Na1 Si6 30.3(3) . . ? O17 Na1 Si6 149.7(3) 2_654 . ? Si6 Na1 Si6 180.0 2_654 . ? O6 Na1 Si7 99.3(4) . . ? O6 Na1 Si7 80.7(4) 2_654 . ? O13 Na1 Si7 96.2(4) 2_654 . ? O13 Na1 Si7 83.8(4) . . ? O3 Na1 Si7 29.2(4) . . ? O3 Na1 Si7 150.8(4) 2_654 . ? O17 Na1 Si7 29.8(3) . . ? O17 Na1 Si7 150.2(3) 2_654 . ? Si6 Na1 Si7 120.52(17) 2_654 . ? Si6 Na1 Si7 59.48(17) . . ? O6 Na1 Si7 80.7(4) . 2_654 ? O6 Na1 Si7 99.3(4) 2_654 2_654 ? O13 Na1 Si7 83.8(4) 2_654 2_654 ? O13 Na1 Si7 96.2(4) . 2_654 ? O3 Na1 Si7 150.8(4) . 2_654 ? O3 Na1 Si7 29.2(4) 2_654 2_654 ? O17 Na1 Si7 150.2(3) . 2_654 ? O17 Na1 Si7 29.8(3) 2_654 2_654 ? Si6 Na1 Si7 59.48(17) 2_654 2_654 ? Si6 Na1 Si7 120.52(17) . 2_654 ? Si7 Na1 Si7 180.000(1) . 2_654 ? O23 Na2 O6 177.4(11) . . ? O23 Na2 O18 93.3(10) . 2_654 ? O6 Na2 O18 84.9(6) . 2_654 ? O23 Na2 O12 98.4(10) . 2_654 ? O6 Na2 O12 83.4(6) . 2_654 ? O18 Na2 O12 168.3(7) 2_654 2_654 ? O23 Na2 O10 96.5(10) . 2_744 ? O6 Na2 O10 80.9(6) . 2_744 ? O18 Na2 O10 60.0(6) 2_654 2_744 ? O12 Na2 O10 117.8(7) 2_654 2_744 ? O23 Na2 O17 98.2(10) . 2_654 ? O6 Na2 O17 82.6(6) . 2_654 ? O18 Na2 O17 60.8(6) 2_654 2_654 ? O12 Na2 O17 117.5(7) 2_654 2_654 ? O10 Na2 O17 119.5(7) 2_744 2_654 ? O23 Na2 O7 95.3(10) . 2_654 ? O6 Na2 O7 87.3(6) . 2_654 ? O18 Na2 O7 120.5(7) 2_654 2_654 ? O12 Na2 O7 59.0(6) 2_654 2_654 ? O10 Na2 O7 168.2(6) 2_744 2_654 ? O17 Na2 O7 59.7(6) 2_654 2_654 ? O23 Na2 O9 96.1(10) . 2_744 ? O6 Na2 O9 83.3(6) . 2_744 ? O18 Na2 O9 119.5(7) 2_654 2_744 ? O12 Na2 O9 59.0(6) 2_654 2_744 ? O10 Na2 O9 59.5(6) 2_744 2_744 ? O17 Na2 O9 165.8(6) 2_654 2_744 ? O7 Na2 O9 117.9(7) 2_654 2_744 ? O23 Na2 O22 55(2) . 2_654 ? O6 Na2 O22 127(2) . 2_654 ? O18 Na2 O22 85(2) 2_654 2_654 ? O12 Na2 O22 103(2) 2_654 2_654 ? O10 Na2 O22 134(2) 2_744 2_654 ? O17 Na2 O22 48(2) 2_654 2_654 ? O7 Na2 O22 55(2) 2_654 2_654 ? O9 Na2 O22 145(2) 2_744 2_654 ? O23 Na2 Si4 100.7(10) . 2_654 ? O6 Na2 Si4 76.8(5) . 2_654 ? O18 Na2 Si4 30.2(4) 2_654 2_654 ? O12 Na2 Si4 144.6(6) 2_654 2_654 ? O10 Na2 Si4 30.6(4) 2_744 2_654 ? O17 Na2 Si4 89.0(5) 2_654 2_654 ? O7 Na2 Si4 146.7(6) 2_654 2_654 ? O9 Na2 Si4 89.4(5) 2_744 2_654 ? O22 Na2 Si4 113(2) 2_654 2_654 ? O23 Na2 Si6 100.3(10) . 2_654 ? O6 Na2 Si6 79.1(5) . 2_654 ? O18 Na2 Si6 30.8(4) 2_654 2_654 ? O12 Na2 Si6 144.9(6) 2_654 2_654 ? O10 Na2 Si6 89.2(5) 2_744 2_654 ? O17 Na2 Si6 30.4(4) 2_654 2_654 ? O7 Na2 Si6 89.8(5) 2_654 2_654 ? O9 Na2 Si6 146.3(6) 2_744 2_654 ? O22 Na2 Si6 66(2) 2_654 2_654 ? Si4 Na2 Si6 58.7(3) 2_654 2_654 ? O23 Na2 Si7 100.0(10) . 2_654 ? O6 Na2 Si7 81.9(5) . 2_654 ? O18 Na2 Si7 90.6(5) 2_654 2_654 ? O12 Na2 Si7 87.8(5) 2_654 2_654 ? O10 Na2 Si7 147.1(6) 2_744 2_654 ? O17 Na2 Si7 29.9(4) 2_654 2_654 ? O7 Na2 Si7 29.9(4) 2_654 2_654 ? O9 Na2 Si7 144.9(6) 2_744 2_654 ? O22 Na2 Si7 46(2) 2_654 2_654 ? Si4 Na2 Si7 117.6(4) 2_654 2_654 ? Si6 Na2 Si7 59.9(2) 2_654 2_654 ? O13 Ca1 O4 83.4(6) . 2_654 ? O13 Ca1 O3 87.1(6) . 2_654 ? O4 Ca1 O3 96.1(6) 2_654 2_654 ? O13 Ca1 O1 92.8(6) . . ? O4 Ca1 O1 174.1(6) 2_654 . ? O3 Ca1 O1 79.2(6) 2_654 . ? O13 Ca1 O5 173.8(6) . 2_644 ? O4 Ca1 O5 102.6(6) 2_654 2_644 ? O3 Ca1 O5 94.0(6) 2_654 2_644 ? O1 Ca1 O5 81.4(5) . 2_644 ? O13 Ca1 O4 94.9(6) . 1_545 ? O4 Ca1 O4 84.5(6) 2_654 1_545 ? O3 Ca1 O4 177.9(6) 2_654 1_545 ? O1 Ca1 O4 100.3(6) . 1_545 ? O5 Ca1 O4 83.9(6) 2_644 1_545 ? O13 Ca1 Si6 22.1(4) . . ? O4 Ca1 Si6 103.2(4) 2_654 . ? O3 Ca1 Si6 94.7(4) 2_654 . ? O1 Ca1 Si6 73.9(4) . . ? O5 Ca1 Si6 151.7(4) 2_644 . ? O4 Ca1 Si6 87.1(4) 1_545 . ? O13 Ca1 Si3 92.6(4) . 2_654 ? O4 Ca1 Si3 23.0(4) 2_654 2_654 ? O3 Ca1 Si3 75.5(4) 2_654 2_654 ? O1 Ca1 Si3 153.8(4) . 2_654 ? O5 Ca1 Si3 93.6(4) 2_644 2_654 ? O4 Ca1 Si3 104.7(4) 1_545 2_654 ? Si6 Ca1 Si3 114.6(2) . 2_654 ? O13 Ca1 Si4 73.8(4) . . ? O4 Ca1 Si4 155.7(4) 2_654 . ? O3 Ca1 Si4 91.2(4) 2_654 . ? O1 Ca1 Si4 22.9(4) . . ? O5 Ca1 Si4 100.0(4) 2_644 . ? O4 Ca1 Si4 89.0(4) 1_545 . ? Si6 Ca1 Si4 52.97(17) . . ? Si3 Ca1 Si4 161.7(2) 2_654 . ? O13 Ca1 Si7 92.0(4) . 2_654 ? O4 Ca1 Si7 74.8(4) 2_654 2_654 ? O3 Ca1 Si7 22.6(4) 2_654 2_654 ? O1 Ca1 Si7 101.0(4) . 2_654 ? O5 Ca1 Si7 91.3(4) 2_644 2_654 ? O4 Ca1 Si7 157.3(4) 1_545 2_654 ? Si6 Ca1 Si7 106.5(2) . 2_654 ? Si3 Ca1 Si7 53.26(16) 2_654 2_654 ? Si4 Ca1 Si7 113.7(2) . 2_654 ? O13 Ca1 Ca1 89.0(4) . 2_644 ? O4 Ca1 Ca1 43.2(4) 2_654 2_644 ? O3 Ca1 Ca1 139.3(5) 2_654 2_644 ? O1 Ca1 Ca1 141.5(4) . 2_644 ? O5 Ca1 Ca1 94.1(4) 2_644 2_644 ? O4 Ca1 Ca1 41.3(4) 1_545 2_644 ? Si6 Ca1 Ca1 96.7(2) . 2_644 ? Si3 Ca1 Ca1 64.15(17) 2_654 2_644 ? Si4 Ca1 Ca1 126.4(2) . 2_644 ? Si7 Ca1 Ca1 117.4(2) 2_654 2_644 ? O13 Ca1 Si2 164.2(4) . 2_644 ? O4 Ca1 Si2 90.2(4) 2_654 2_644 ? O3 Ca1 Si2 79.2(4) 2_654 2_644 ? O1 Ca1 Si2 92.4(4) . 2_644 ? O5 Ca1 Si2 20.3(4) 2_644 2_644 ? O4 Ca1 Si2 98.8(4) 1_545 2_644 ? Si6 Ca1 Si2 165.9(2) . 2_644 ? Si3 Ca1 Si2 76.41(19) 2_654 2_644 ? Si4 Ca1 Si2 114.0(2) . 2_644 ? Si7 Ca1 Si2 72.35(17) 2_654 2_644 ? Ca1 Ca1 Si2 96.1(2) 2_644 2_644 ? O6 Ca2 O3 87.9(6) 2_744 2_744 ? O6 Ca2 O2 82.3(6) 2_744 2_744 ? O3 Ca2 O2 103.4(7) 2_744 2_744 ? O6 Ca2 O5 92.3(5) 2_744 . ? O3 Ca2 O5 173.7(6) 2_744 . ? O2 Ca2 O5 82.9(6) 2_744 . ? O6 Ca2 O1 171.5(5) 2_744 2_644 ? O3 Ca2 O1 96.6(6) 2_744 2_644 ? O2 Ca2 O1 103.6(6) 2_744 2_644 ? O5 Ca2 O1 82.5(5) . 2_644 ? O6 Ca2 O1 93.7(5) 2_744 1_645 ? O3 Ca2 O1 80.6(6) 2_744 1_645 ? O2 Ca2 O1 174.2(6) 2_744 1_645 ? O5 Ca2 O1 93.1(5) . 1_645 ? O1 Ca2 O1 80.0(6) 2_644 1_645 ? O6 Ca2 Si4 73.8(4) 2_744 1_645 ? O3 Ca2 Si4 96.8(4) 2_744 1_645 ? O2 Ca2 Si4 148.0(5) 2_744 1_645 ? O5 Ca2 Si4 77.2(4) . 1_645 ? O1 Ca2 Si4 98.4(4) 2_644 1_645 ? O1 Ca2 Si4 26.2(4) 1_645 1_645 ? O6 Ca2 Si2 73.5(4) 2_744 . ? O3 Ca2 Si2 149.9(4) 2_744 . ? O2 Ca2 Si2 97.4(5) 2_744 . ? O5 Ca2 Si2 25.6(4) . . ? O1 Ca2 Si2 99.5(4) 2_644 . ? O1 Ca2 Si2 77.4(4) 1_645 . ? Si4 Ca2 Si2 55.82(17) 1_645 . ? O6 Ca2 Na3 40.1(4) 2_744 2_744 ? O3 Ca2 Na3 95.7(5) 2_744 2_744 ? O2 Ca2 Na3 42.3(5) 2_744 2_744 ? O5 Ca2 Na3 88.5(4) . 2_744 ? O1 Ca2 Na3 145.7(4) 2_644 2_744 ? O1 Ca2 Na3 133.8(4) 1_645 2_744 ? Si4 Ca2 Na3 111.81(18) 1_645 2_744 ? Si2 Ca2 Na3 85.18(18) . 2_744 ? O6 Ca2 Ca3 40.1(4) 2_744 2_744 ? O3 Ca2 Ca3 95.7(5) 2_744 2_744 ? O2 Ca2 Ca3 42.3(5) 2_744 2_744 ? O5 Ca2 Ca3 88.5(4) . 2_744 ? O1 Ca2 Ca3 145.7(4) 2_644 2_744 ? O1 Ca2 Ca3 133.8(4) 1_645 2_744 ? Si4 Ca2 Ca3 111.81(18) 1_645 2_744 ? Si2 Ca2 Ca3 85.18(18) . 2_744 ? Na3 Ca2 Ca3 0.00(15) 2_744 2_744 ? O6 Ca2 Si4 166.9(4) 2_744 2_644 ? O3 Ca2 Si4 81.6(4) 2_744 2_644 ? O2 Ca2 Si4 92.5(5) 2_744 2_644 ? O5 Ca2 Si4 99.1(4) . 2_644 ? O1 Ca2 Si4 21.2(4) 2_644 2_644 ? O1 Ca2 Si4 92.3(4) 1_645 2_644 ? Si4 Ca2 Si4 115.04(17) 1_645 2_644 ? Si2 Ca2 Si4 119.3(2) . 2_644 ? Na3 Ca2 Si4 133.08(18) 2_744 2_644 ? Ca3 Ca2 Si4 133.08(18) 2_744 2_644 ? O6 Ca2 Si7 92.5(4) 2_744 2_744 ? O3 Ca2 Si7 19.0(4) 2_744 2_744 ? O2 Ca2 Si7 85.7(5) 2_744 2_744 ? O5 Ca2 Si7 167.0(4) . 2_744 ? O1 Ca2 Si7 94.1(4) 2_644 2_744 ? O1 Ca2 Si7 98.7(4) 1_645 2_744 ? Si4 Ca2 Si7 115.8(2) 1_645 2_744 ? Si2 Ca2 Si7 164.9(2) . 2_744 ? Na3 Ca2 Si7 87.33(19) 2_744 2_744 ? Ca3 Ca2 Si7 87.33(19) 2_744 2_744 ? Si4 Ca2 Si7 75.10(18) 2_644 2_744 ? O6 Ca3 O13 86.5(6) . . ? O6 Ca3 O2 79.7(6) . . ? O13 Ca3 O2 102.9(7) . . ? O6 Ca3 O5 171.3(6) . . ? O13 Ca3 O5 101.7(6) . . ? O2 Ca3 O5 95.5(7) . . ? O6 Ca3 O4 100.5(6) . 2_654 ? O13 Ca3 O4 80.1(6) . 2_654 ? O2 Ca3 O4 177.0(7) . 2_654 ? O5 Ca3 O4 83.9(6) . 2_654 ? O6 Ca3 O2 95.7(6) . 2_744 ? O13 Ca3 O2 172.6(6) . 2_744 ? O2 Ca3 O2 84.5(7) . 2_744 ? O5 Ca3 O2 76.6(6) . 2_744 ? O4 Ca3 O2 92.6(6) 2_654 2_744 ? O6 Ca3 Si3 79.3(4) . 2_654 ? O13 Ca3 Si3 96.1(4) . 2_654 ? O2 Ca3 Si3 150.6(5) . 2_654 ? O5 Ca3 Si3 102.5(4) . 2_654 ? O4 Ca3 Si3 27.5(4) 2_654 2_654 ? O2 Ca3 Si3 77.4(5) 2_744 2_654 ? O6 Ca3 Si5 76.1(4) . 2_744 ? O13 Ca3 Si5 149.3(4) . 2_744 ? O2 Ca3 Si5 98.7(5) . 2_744 ? O5 Ca3 Si5 97.7(4) . 2_744 ? O4 Ca3 Si5 78.5(4) 2_654 2_744 ? O2 Ca3 Si5 26.8(4) 2_744 2_744 ? Si3 Ca3 Si5 56.26(19) 2_654 2_744 ? O6 Ca3 Si2 154.8(4) . . ? O13 Ca3 Si2 90.8(4) . . ? O2 Ca3 Si2 76.5(5) . . ? O5 Ca3 Si2 24.5(4) . . ? O4 Ca3 Si2 103.7(5) 2_654 . ? O2 Ca3 Si2 90.2(5) 2_744 . ? Si3 Ca3 Si2 125.9(2) 2_654 . ? Si5 Ca3 Si2 115.5(2) 2_744 . ? O6 Ca3 Si5 100.8(4) . . ? O13 Ca3 Si5 93.8(4) . . ? O2 Ca3 Si5 23.6(5) . . ? O5 Ca3 Si5 76.0(4) . . ? O4 Ca3 Si5 157.4(5) 2_654 . ? O2 Ca3 Si5 92.7(5) 2_744 . ? Si3 Ca3 Si5 170.1(3) 2_654 . ? Si5 Ca3 Si5 114.0(2) 2_744 . ? Si2 Ca3 Si5 54.37(18) . . ? O6 Ca3 Na1 42.2(4) . . ? O13 Ca3 Na1 44.3(4) . . ? O2 Ca3 Na1 92.1(5) . . ? O5 Ca3 Na1 146.0(4) . . ? O4 Ca3 Na1 90.0(4) 2_654 . ? O2 Ca3 Na1 137.3(5) 2_744 . ? Si3 Ca3 Na1 85.92(18) 2_654 . ? Si5 Ca3 Na1 113.9(2) 2_744 . ? Si2 Ca3 Na1 130.4(2) . . ? Si5 Ca3 Na1 100.88(19) . . ? O6 Ca3 Ca2 39.2(4) . 2_744 ? O13 Ca3 Ca2 94.4(5) . 2_744 ? O2 Ca3 Ca2 40.5(5) . 2_744 ? O5 Ca3 Ca2 135.8(4) . 2_744 ? O4 Ca3 Ca2 139.7(5) 2_654 2_744 ? O2 Ca3 Ca2 91.7(5) 2_744 2_744 ? Si3 Ca3 Ca2 116.5(2) 2_654 2_744 ? Si5 Ca3 Ca2 87.9(2) 2_744 2_744 ? Si2 Ca3 Ca2 116.3(2) . 2_744 ? Si5 Ca3 Ca2 61.99(16) . 2_744 ? Na1 Ca3 Ca2 61.20(16) . 2_744 ? O21 Si1 O16 111.9(11) . . ? O21 Si1 O14 109.0(11) . . ? O16 Si1 O14 107.0(9) . . ? O21 Si1 O19 109.4(11) . . ? O16 Si1 O19 109.0(10) . . ? O14 Si1 O19 110.6(9) . . ? O5 Si2 O16 114.4(9) . . ? O5 Si2 O10 110.5(9) . . ? O16 Si2 O10 108.5(9) . . ? O5 Si2 O9 113.5(9) . . ? O16 Si2 O9 106.4(9) . . ? O10 Si2 O9 103.0(9) . . ? O5 Si2 Na2 114.6(7) . 2_744 ? O16 Si2 Na2 131.0(7) . 2_744 ? O10 Si2 Na2 51.5(6) . 2_744 ? O9 Si2 Na2 53.5(7) . 2_744 ? O5 Si2 Ca2 41.5(6) . . ? O16 Si2 Ca2 147.1(7) . . ? O10 Si2 Ca2 73.6(6) . . ? O9 Si2 Ca2 105.0(6) . . ? Na2 Si2 Ca2 77.1(2) 2_744 . ? O5 Si2 Ca3 39.5(6) . . ? O16 Si2 Ca3 109.2(7) . . ? O10 Si2 Ca3 139.9(6) . . ? O9 Si2 Ca3 78.9(6) . . ? Na2 Si2 Ca3 108.9(3) 2_744 . ? Ca2 Si2 Ca3 67.48(18) . . ? O5 Si2 Ca1 32.6(6) . 2_644 ? O16 Si2 Ca1 85.8(7) . 2_644 ? O10 Si2 Ca1 107.9(6) . 2_644 ? O9 Si2 Ca1 141.1(6) . 2_644 ? Na2 Si2 Ca1 139.8(3) 2_744 2_644 ? Ca2 Si2 Ca1 63.20(17) . 2_644 ? Ca3 Si2 Ca1 62.23(17) . 2_644 ? O4 Si3 O12 112.5(9) . . ? O4 Si3 O14 115.2(9) . 1_565 ? O12 Si3 O14 107.9(9) . 1_565 ? O4 Si3 O7 112.3(9) . . ? O12 Si3 O7 101.2(9) . . ? O14 Si3 O7 106.7(9) 1_565 . ? O4 Si3 Na2 117.8(7) . 2_654 ? O12 Si3 Na2 50.9(7) . 2_654 ? O14 Si3 Na2 127.0(7) 1_565 2_654 ? O7 Si3 Na2 51.5(7) . 2_654 ? O4 Si3 Na3 46.2(7) . 2_654 ? O12 Si3 Na3 71.7(6) . 2_654 ? O14 Si3 Na3 151.7(7) 1_565 2_654 ? O7 Si3 Na3 101.0(6) . 2_654 ? Na2 Si3 Na3 75.7(2) 2_654 2_654 ? O4 Si3 Ca3 46.2(7) . 2_654 ? O12 Si3 Ca3 71.7(6) . 2_654 ? O14 Si3 Ca3 151.7(7) 1_565 2_654 ? O7 Si3 Ca3 101.0(6) . 2_654 ? Na2 Si3 Ca3 75.7(2) 2_654 2_654 ? Na3 Si3 Ca3 0.00(6) 2_654 2_654 ? O4 Si3 Ca1 35.8(7) . 2_654 ? O12 Si3 Ca1 135.4(6) . 2_654 ? O14 Si3 Ca1 114.7(7) 1_565 2_654 ? O7 Si3 Ca1 79.4(6) . 2_654 ? Na2 Si3 Ca1 107.6(3) 2_654 2_654 ? Na3 Si3 Ca1 64.52(18) 2_654 2_654 ? Ca3 Si3 Ca1 64.52(18) 2_654 2_654 ? O1 Si4 O18 113.1(9) . . ? O1 Si4 O15 112.7(9) . 1_455 ? O18 Si4 O15 108.1(9) . 1_455 ? O1 Si4 O10 111.3(8) . 1_465 ? O18 Si4 O10 103.5(9) . 1_465 ? O15 Si4 O10 107.6(9) 1_455 1_465 ? O1 Si4 Na2 116.6(7) . 2_654 ? O18 Si4 Na2 52.1(7) . 2_654 ? O15 Si4 Na2 130.7(7) 1_455 2_654 ? O10 Si4 Na2 53.1(6) 1_465 2_654 ? O1 Si4 Ca2 43.0(6) . 1_465 ? O18 Si4 Ca2 103.9(6) . 1_465 ? O15 Si4 Ca2 146.6(7) 1_455 1_465 ? O10 Si4 Ca2 73.6(6) 1_465 1_465 ? Na2 Si4 Ca2 77.8(2) 2_654 1_465 ? O1 Si4 Ca1 36.8(6) . . ? O18 Si4 Ca1 79.9(6) . . ? O15 Si4 Ca1 111.5(7) 1_455 . ? O10 Si4 Ca1 137.5(6) 1_465 . ? Na2 Si4 Ca1 108.0(3) 2_654 . ? Ca2 Si4 Ca1 64.64(16) 1_465 . ? O1 Si4 Ca2 33.4(6) . 2_644 ? O18 Si4 Ca2 141.7(6) . 2_644 ? O15 Si4 Ca2 83.6(6) 1_455 2_644 ? O10 Si4 Ca2 107.3(6) 1_465 2_644 ? Na2 Si4 Ca2 142.2(3) 2_654 2_644 ? Ca2 Si4 Ca2 64.96(17) 1_465 2_644 ? Ca1 Si4 Ca2 62.13(16) . 2_644 ? O2 Si5 O9 112.9(10) . . ? O2 Si5 O20 116.8(11) . . ? O9 Si5 O20 104.8(9) . . ? O2 Si5 O12 111.4(10) . 1_645 ? O9 Si5 O12 102.4(9) . 1_645 ? O20 Si5 O12 107.2(9) . 1_645 ? O2 Si5 Na2 119.4(8) . 2_744 ? O9 Si5 Na2 52.6(7) . 2_744 ? O20 Si5 Na2 123.8(7) . 2_744 ? O12 Si5 Na2 50.6(7) 1_645 2_744 ? O2 Si5 Na3 48.8(8) . 2_744 ? O9 Si5 Na3 100.6(6) . 2_744 ? O20 Si5 Na3 154.5(7) . 2_744 ? O12 Si5 Na3 68.8(6) 1_645 2_744 ? Na2 Si5 Na3 74.3(2) 2_744 2_744 ? O2 Si5 Ca3 48.8(8) . 2_744 ? O9 Si5 Ca3 100.6(6) . 2_744 ? O20 Si5 Ca3 154.5(7) . 2_744 ? O12 Si5 Ca3 68.8(6) 1_645 2_744 ? Na2 Si5 Ca3 74.3(2) 2_744 2_744 ? Na3 Si5 Ca3 0.0(2) 2_744 2_744 ? O2 Si5 Ca3 37.5(8) . . ? O9 Si5 Ca3 77.7(6) . . ? O20 Si5 Ca3 117.4(7) . . ? O12 Si5 Ca3 133.9(6) 1_645 . ? Na2 Si5 Ca3 107.2(3) 2_744 . ? Na3 Si5 Ca3 66.0(2) 2_744 . ? Ca3 Si5 Ca3 66.0(2) 2_744 . ? O2 Si5 Ca2 27.4(8) . 2_744 ? O9 Si5 Ca2 137.9(6) . 2_744 ? O20 Si5 Ca2 94.2(7) . 2_744 ? O12 Si5 Ca2 107.3(6) 1_645 2_744 ? Na2 Si5 Ca2 138.9(3) 2_744 2_744 ? Na3 Si5 Ca2 64.80(17) 2_744 2_744 ? Ca3 Si5 Ca2 64.80(17) 2_744 2_744 ? Ca3 Si5 Ca2 60.19(17) . 2_744 ? O13 Si6 O17 111.8(9) . . ? O13 Si6 O19 114.8(9) . . ? O17 Si6 O19 107.2(9) . . ? O13 Si6 O18 112.9(9) . . ? O17 Si6 O18 103.2(9) . . ? O19 Si6 O18 105.9(9) . . ? O13 Si6 Na2 119.9(7) . 2_654 ? O17 Si6 Na2 52.6(6) . 2_654 ? O19 Si6 Na2 125.2(7) . 2_654 ? O18 Si6 Na2 51.5(6) . 2_654 ? O13 Si6 Na1 49.3(6) . . ? O17 Si6 Na1 67.1(6) . . ? O19 Si6 Na1 149.6(7) . . ? O18 Si6 Na1 104.4(6) . . ? Na2 Si6 Na1 76.6(2) 2_654 . ? O13 Si6 Ca1 34.1(6) . . ? O17 Si6 Ca1 133.5(6) . . ? O19 Si6 Ca1 116.2(7) . . ? O18 Si6 Ca1 80.9(6) . . ? Na2 Si6 Ca1 108.5(3) 2_654 . ? Na1 Si6 Ca1 67.08(15) . . ? O13 Si6 Ca3 31.0(6) . . ? O17 Si6 Ca3 102.7(6) . . ? O19 Si6 Ca3 91.5(6) . . ? O18 Si6 Ca3 142.6(6) . . ? Na2 Si6 Ca3 138.7(3) 2_654 . ? Na1 Si6 Ca3 62.54(15) . . ? Ca1 Si6 Ca3 61.73(17) . . ? O3 Si7 O7 112.6(9) . . ? O3 Si7 O17 113.4(9) . . ? O7 Si7 O17 103.2(9) . . ? O3 Si7 O11 113.9(9) . . ? O7 Si7 O11 106.3(9) . . ? O17 Si7 O11 106.5(9) . . ? O3 Si7 Na2 124.0(7) . 2_654 ? O7 Si7 Na2 51.8(7) . 2_654 ? O17 Si7 Na2 51.8(6) . 2_654 ? O11 Si7 Na2 122.0(7) . 2_654 ? O3 Si7 Na1 53.9(6) . . ? O7 Si7 Na1 101.5(6) . . ? O17 Si7 Na1 65.4(6) . . ? O11 Si7 Na1 152.2(7) . . ? Na2 Si7 Na1 75.4(2) 2_654 . ? O3 Si7 Ca1 35.0(6) . 2_654 ? O7 Si7 Ca1 78.2(6) . 2_654 ? O17 Si7 Ca1 130.4(6) . 2_654 ? O11 Si7 Ca1 120.8(7) . 2_654 ? Na2 Si7 Ca1 106.9(3) 2_654 2_654 ? Na1 Si7 Ca1 65.86(14) . 2_654 ? O3 Si7 Ca2 28.1(6) . 2_744 ? O7 Si7 Ca2 140.3(6) . 2_744 ? O17 Si7 Ca2 102.4(6) . 2_744 ? O11 Si7 Ca2 94.7(6) . 2_744 ? Na2 Si7 Ca2 138.3(3) 2_654 2_744 ? Na1 Si7 Ca2 63.29(14) . 2_744 ? Ca1 Si7 Ca2 62.12(15) 2_654 2_744 ? O15 Si8 O20 106.2(10) . . ? O15 Si8 O8 111.2(11) . . ? O20 Si8 O8 111.3(11) . . ? O15 Si8 O11 110.2(9) . . ? O20 Si8 O11 110.0(9) . . ? O8 Si8 O11 107.9(11) . . ? Si4 O1 Ca2 125.3(9) . 2_644 ? Si4 O1 Ca1 120.3(8) . . ? Ca2 O1 Ca1 97.9(6) 2_644 . ? Si4 O1 Ca2 110.7(8) . 1_465 ? Ca2 O1 Ca2 100.0(6) 2_644 1_465 ? Ca1 O1 Ca2 97.6(5) . 1_465 ? Si5 O2 Ca2 134.3(12) . 2_744 ? Si5 O2 Ca3 119.0(11) . . ? Ca2 O2 Ca3 97.2(8) 2_744 . ? Si5 O2 Na3 104.4(10) . 2_744 ? Ca2 O2 Na3 98.3(7) 2_744 2_744 ? Ca3 O2 Na3 95.5(7) . 2_744 ? Si5 O2 Ca3 104.4(10) . 2_744 ? Ca2 O2 Ca3 98.3(7) 2_744 2_744 ? Ca3 O2 Ca3 95.5(7) . 2_744 ? Na3 O2 Ca3 0.0(4) 2_744 2_744 ? Si7 O3 Ca2 132.9(9) . 2_744 ? Si7 O3 Ca1 122.4(9) . 2_654 ? Ca2 O3 Ca1 102.6(6) 2_744 2_654 ? Si7 O3 Na1 96.8(8) . . ? Ca2 O3 Na1 93.0(6) 2_744 . ? Ca1 O3 Na1 93.9(5) 2_654 . ? Si3 O4 Ca1 121.2(9) . 2_654 ? Si3 O4 Ca1 134.3(10) . 1_565 ? Ca1 O4 Ca1 95.5(6) 2_654 1_565 ? Si3 O4 Na3 106.3(9) . 2_654 ? Ca1 O4 Na3 96.4(6) 2_654 2_654 ? Ca1 O4 Na3 94.5(6) 1_565 2_654 ? Si3 O4 Ca3 106.3(9) . 2_654 ? Ca1 O4 Ca3 96.4(6) 2_654 2_654 ? Ca1 O4 Ca3 94.5(6) 1_565 2_654 ? Na3 O4 Ca3 0.00(19) 2_654 2_654 ? Si2 O5 Ca2 112.9(8) . . ? Si2 O5 Ca3 116.0(8) . . ? Ca2 O5 Ca3 102.2(6) . . ? Si2 O5 Ca1 127.0(9) . 2_644 ? Ca2 O5 Ca1 97.8(6) . 2_644 ? Ca3 O5 Ca1 96.9(6) . 2_644 ? Ca2 O6 Ca3 100.7(6) 2_744 . ? Ca2 O6 Na2 123.7(7) 2_744 . ? Ca3 O6 Na2 117.7(7) . . ? Ca2 O6 Na1 100.9(6) 2_744 . ? Ca3 O6 Na1 97.2(6) . . ? Na2 O6 Na1 112.5(6) . . ? Si7 O7 Si3 149.1(11) . . ? Si7 O7 Na2 98.3(8) . 2_654 ? Si3 O7 Na2 98.5(8) . 2_654 ? Si5 O9 Si2 148.7(11) . . ? Si5 O9 Na2 97.8(8) . 2_744 ? Si2 O9 Na2 95.9(8) . 2_744 ? Si2 O10 Si4 151.5(11) . 1_645 ? Si2 O10 Na2 98.6(8) . 2_744 ? Si4 O10 Na2 96.3(8) 1_645 2_744 ? Si8 O11 Si7 138.3(11) . . ? Si3 O12 Si5 153.3(12) . 1_465 ? Si3 O12 Na2 99.6(9) . 2_654 ? Si5 O12 Na2 99.6(9) 1_465 2_654 ? Si6 O13 Ca1 123.8(9) . . ? Si6 O13 Ca3 129.2(9) . . ? Ca1 O13 Ca3 100.1(6) . . ? Si6 O13 Na1 101.9(8) . . ? Ca1 O13 Na1 99.9(6) . . ? Ca3 O13 Na1 93.3(6) . . ? Si1 O14 Si3 133.8(11) . 1_545 ? Si8 O15 Si4 145.3(12) . 1_655 ? Si1 O16 Si2 139.7(13) . . ? Si6 O17 Si7 160.4(11) . . ? Si6 O17 Na2 97.0(8) . 2_654 ? Si7 O17 Na2 98.3(8) . 2_654 ? Si6 O17 Na1 82.6(6) . . ? Si7 O17 Na1 84.8(6) . . ? Na2 O17 Na1 91.2(5) 2_654 . ? Si4 O18 Si6 146.1(11) . . ? Si4 O18 Na2 97.7(8) . 2_654 ? Si6 O18 Na2 97.7(8) . 2_654 ? Si1 O19 Si6 134.7(12) . . ? Si8 O20 Si5 135.2(12) . . ? _diffrn_measured_fraction_theta_max 0.988 _diffrn_reflns_theta_full 28.19 _diffrn_measured_fraction_theta_full 0.988 _refine_diff_density_max 9.052 _refine_diff_density_min -3.087 _refine_diff_density_rms 0.664