data_garri2 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H8.50 Al3 Na3 O20.25 Si5' _chemical_formula_weight 622.93 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' 'H' 'H' 0.0000 0.0000 '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' 'Al' 'Al' 0.0645 0.0514 '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' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' _cell_length_a 9.990(2) _cell_length_b 10.032(2) _cell_length_c 10.036(2) _cell_angle_alpha 90.00 _cell_angle_beta 90.11(3) _cell_angle_gamma 90.00 _cell_volume 1005.8(3) _cell_formula_units_Z 2 _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 2.057 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 625 _exptl_absorpt_coefficient_mu 0.646 _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 5866 _diffrn_reflns_av_R_equivalents 0.0674 _diffrn_reflns_av_sigmaI/netI 0.0695 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 2.87 _diffrn_reflns_theta_max 30.03 _reflns_number_total 2952 _reflns_number_gt 2740 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _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^)+(0.0929P)^2^+4.3380P] 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 none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack -0.4(5) _refine_ls_number_reflns 2952 _refine_ls_number_parameters 170 _refine_ls_number_restraints 5 _refine_ls_R_factor_all 0.0745 _refine_ls_R_factor_gt 0.0670 _refine_ls_wR_factor_ref 0.1624 _refine_ls_wR_factor_gt 0.1581 _refine_ls_goodness_of_fit_ref 1.014 _refine_ls_restrained_S_all 1.013 _refine_ls_shift/su_max 1.024 _refine_ls_shift/su_mean 0.104 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 Si1 Si 0.85957(6) 0.20483(5) 0.16817(5) 0.01429(12) Uani 0.9190(18) 1 d P . . Si2 Si 0.82952(5) 0.45345(5) 0.35748(5) 0.01516(11) Uani 0.9815(18) 1 d P . . Si3 Si 0.82915(6) 0.24197(5) -0.14140(6) 0.01375(13) Uani 0.892(2) 1 d P . . Si4 Si 0.85730(6) 0.49041(5) 0.66797(6) 0.01555(13) Uani 0.936(2) 1 d P . . O1 O 0.8179(2) 0.27428(18) 0.02211(16) 0.0318(4) Uani 1 1 d . . . O2 O 0.8042(2) 0.31329(16) 0.28674(17) 0.0341(5) Uani 1.000(5) 1 d . . . O3 O 0.78726(19) 0.06500(19) 0.1966(2) 0.0363(5) Uani 1 1 d . . . O4 O 1.02454(19) 0.1780(2) 0.1852(2) 0.0360(5) Uani 1 1 d . . . O5 O 0.8152(2) 0.4363(2) 0.51828(19) 0.0338(5) Uani 1 1 d . . . O6 O 0.97663(17) 0.51362(19) 0.3199(2) 0.0306(4) Uani 1 1 d . . . O7 O 0.71283(17) 0.14512(17) -0.1979(2) 0.0286(4) Uani 1 1 d . . . O8 O 0.79879(17) 0.39254(19) -0.2159(2) 0.0311(4) Uani 1 1 d . . . Na1A Na 0.9733(7) -0.1737(12) 0.4202(7) 0.1428(16) Uani 0.349(2) 1 d P . . Na1B Na 1.0167(5) 0.8354(9) 0.7152(6) 0.1428(15) Uani 0.435(5) 1 d P . . Na2 Na 0.6509(4) 0.2568(4) 0.5803(4) 0.0933(12) Uani 0.532(5) 1 d P . . Na3 Na 1.0000 0.1433(11) 0.5000 0.240(8) Uani 0.560(11) 2 d SP . . O9A O 0.7664(5) 0.0468(7) 0.4858(5) 0.0985(17) Uiso 0.60 1 d PD . . O9B O 0.6584(4) 0.1024(6) 0.4813(5) 0.0985(17) Uiso 0.40 1 d PD . . O10 O 0.9256(3) 1.0019(4) 0.6615(3) 0.050 Uiso 0.665(7) 1 d PD . . O11 O 0.0000 0.8956(13) 0.0000 0.050 Uiso 0.298(9) 2 d SP . . H9A H 0.7058(6) 0.0553(10) 0.4097(5) 0.050 Uiso 0.60 1 d PD . . H9B H 0.5708(5) 0.0620(12) 0.465(3) 0.050 Uiso 0.40 1 d PD . . H10 H 0.8637(7) 1.0459(11) 0.6010(8) 0.050 Uiso 0.90 1 d PD . . 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 Si1 0.0153(2) 0.0148(2) 0.0129(2) -0.00236(18) 0.00109(18) -0.00440(18) Si2 0.0179(2) 0.0146(2) 0.01302(19) -0.00206(17) 0.00065(17) 0.00360(18) Si3 0.0105(2) 0.0115(2) 0.0193(3) 0.0012(2) -0.0001(2) 0.00012(18) Si4 0.0161(2) 0.0131(2) 0.0174(2) 0.00265(19) 0.0000(2) -0.00013(19) O1 0.0484(9) 0.0284(7) 0.0187(7) 0.0059(6) 0.0006(7) 0.0221(7) O2 0.0694(13) 0.0130(6) 0.0198(7) -0.0023(5) 0.0074(8) -0.0039(7) O3 0.0287(8) 0.0280(8) 0.0522(11) 0.0084(8) -0.0030(8) -0.0059(7) O4 0.0265(7) 0.0406(10) 0.0410(9) 0.0060(8) -0.0002(7) -0.0030(8) O5 0.0331(8) 0.0424(10) 0.0259(8) 0.0028(8) 0.0019(7) 0.0113(8) O6 0.0178(6) 0.0351(9) 0.0390(9) 0.0097(8) 0.0013(7) -0.0022(6) O7 0.0275(7) 0.0187(6) 0.0395(9) -0.0065(6) -0.0108(7) -0.0128(6) O8 0.0193(7) 0.0298(8) 0.0443(10) 0.0173(7) 0.0057(7) -0.0024(6) Na1A 0.067(3) 0.269(3) 0.093(3) -0.073(2) 0.014(2) -0.067(4) Na1B 0.067(2) 0.269(3) 0.093(3) -0.073(3) 0.014(2) -0.067(2) Na2 0.0869(19) 0.0685(17) 0.124(3) 0.0492(16) -0.0486(18) -0.0401(15) Na3 0.52(2) 0.107(6) 0.088(5) 0.000 -0.090(8) 0.000 _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 Si1 O3 1.604(2) . ? Si1 O1 1.6749(18) . ? Si1 O4 1.678(2) . ? Si1 O2 1.7053(18) . ? Si2 O2 1.5951(18) . ? Si2 O5 1.629(2) . ? Si2 O6 1.6336(18) . ? Si2 O3 1.705(2) 4_655 ? Si2 Na2 3.477(4) . ? Si3 O7 1.6167(18) . ? Si3 O4 1.657(2) 2_755 ? Si3 O1 1.6766(18) . ? Si3 O8 1.712(2) . ? Si3 Na2 3.313(4) 1_554 ? Si4 O8 1.633(2) 1_556 ? Si4 O5 1.651(2) . ? Si4 O6 1.6795(18) 2_756 ? Si4 O7 1.7293(18) 4_655 ? Si4 Na2 3.242(4) . ? O1 Na1A 3.013(7) 4_655 ? O2 Na1B 2.968(6) 3_444 ? O3 Si2 1.705(2) 4_645 ? O4 Si3 1.657(2) 2_755 ? O5 Na2 2.516(4) . ? O6 Si4 1.6795(18) 2_756 ? O7 Si4 1.7293(18) 4_645 ? O7 Na2 2.567(5) 1_554 ? O7 Na1B 2.988(7) 4_645 ? O8 Si4 1.633(2) 1_554 ? O8 Na2 2.866(5) 1_554 ? Na1A Na1B 1.366(9) 2_746 ? Na1A Na1A 1.688(14) 2_756 ? Na1A O10 2.190(11) 2_746 ? Na1A Na1B 2.993(9) 1_545 ? Na1A O1 3.013(7) 4_645 ? Na1A Na3 3.290(15) . ? Na1A Na2 3.911(8) 3_544 ? Na1B Na1A 1.366(9) 2_766 ? Na1B O10 1.976(9) . ? Na1B Na2 2.765(7) 4_656 ? Na1B O11 2.926(6) 1_656 ? Na1B O2 2.968(6) 3 ? Na1B O7 2.988(7) 4_655 ? Na1B Na1A 2.993(9) 1_565 ? Na1B Na3 3.773(12) 1_565 ? Na1B Na2 3.978(7) 3 ? Na2 O9B 1.842(7) . ? Na2 O11 2.203(9) 3_545 ? Na2 O7 2.567(5) 1_556 ? Na2 O9A 2.583(8) . ? Na2 Na1B 2.765(7) 4_646 ? Na2 O8 2.866(5) 1_556 ? Na2 Si3 3.313(4) 1_556 ? Na2 Na2 3.415(8) 2_656 ? Na2 Na3 3.758(5) . ? Na3 O10 2.280(8) 2_746 ? Na3 O10 2.280(8) 1_545 ? Na3 O9A 2.530(7) . ? Na3 O9A 2.530(7) 2_756 ? Na3 Na1A 3.290(15) 2_756 ? Na3 Na2 3.758(5) 2_756 ? Na3 Na1B 3.773(12) 2_746 ? Na3 Na1B 3.773(12) 1_545 ? O9A O9B 1.215(7) . ? O10 Na1A 2.190(11) 2_766 ? O10 Na3 2.280(8) 1_565 ? O11 Na2 2.203(9) 4 ? O11 Na2 2.203(9) 3_454 ? O11 Na1B 2.926(6) 1_454 ? O11 Na1B 2.926(6) 2_656 ? 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 O3 Si1 O1 114.12(11) . . ? O3 Si1 O4 106.50(10) . . ? O1 Si1 O4 113.47(11) . . ? O3 Si1 O2 106.68(11) . . ? O1 Si1 O2 105.37(9) . . ? O4 Si1 O2 110.53(11) . . ? O2 Si2 O5 109.49(10) . . ? O2 Si2 O6 111.39(11) . . ? O5 Si2 O6 110.38(11) . . ? O2 Si2 O3 109.21(11) . 4_655 ? O5 Si2 O3 108.89(11) . 4_655 ? O6 Si2 O3 107.41(10) . 4_655 ? O2 Si2 Na2 72.85(10) . . ? O5 Si2 Na2 42.03(10) . . ? O6 Si2 Na2 145.21(10) . . ? O3 Si2 Na2 103.04(10) 4_655 . ? O7 Si3 O4 107.93(10) . 2_755 ? O7 Si3 O1 114.22(10) . . ? O4 Si3 O1 113.30(11) 2_755 . ? O7 Si3 O8 104.50(10) . . ? O4 Si3 O8 112.43(10) 2_755 . ? O1 Si3 O8 104.16(10) . . ? O7 Si3 Na2 49.18(10) . 1_554 ? O4 Si3 Na2 105.47(11) 2_755 1_554 ? O1 Si3 Na2 141.22(10) . 1_554 ? O8 Si3 Na2 59.85(9) . 1_554 ? O8 Si4 O5 111.16(11) 1_556 . ? O8 Si4 O6 112.73(10) 1_556 2_756 ? O5 Si4 O6 111.18(11) . 2_756 ? O8 Si4 O7 105.65(10) 1_556 4_655 ? O5 Si4 O7 110.54(10) . 4_655 ? O6 Si4 O7 105.27(9) 2_756 4_655 ? O8 Si4 Na2 62.02(11) 1_556 . ? O5 Si4 Na2 49.81(11) . . ? O6 Si4 Na2 138.38(10) 2_756 . ? O7 Si4 Na2 115.99(10) 4_655 . ? Si1 O1 Si3 139.39(12) . . ? Si1 O1 Na1A 98.18(17) . 4_655 ? Si3 O1 Na1A 106.74(17) . 4_655 ? Si2 O2 Si1 145.27(14) . . ? Si2 O2 Na1B 101.19(19) . 3_444 ? Si1 O2 Na1B 101.18(16) . 3_444 ? Si1 O3 Si2 145.65(15) . 4_645 ? Si3 O4 Si1 141.02(14) 2_755 . ? Si2 O5 Si4 147.55(15) . . ? Si2 O5 Na2 112.27(15) . . ? Si4 O5 Na2 100.10(14) . . ? Si2 O6 Si4 145.18(13) . 2_756 ? Si3 O7 Si4 140.30(13) . 4_645 ? Si3 O7 Na2 102.36(12) . 1_554 ? Si4 O7 Na2 116.45(12) 4_645 1_554 ? Si3 O7 Na1B 100.80(17) . 4_645 ? Si4 O7 Na1B 105.81(17) 4_645 4_645 ? Na2 O7 Na1B 59.13(15) 1_554 4_645 ? Si4 O8 Si3 141.14(12) 1_554 . ? Si4 O8 Na2 87.76(12) 1_554 1_554 ? Si3 O8 Na2 89.04(11) . 1_554 ? Na1B Na1A Na1A 157.1(7) 2_746 2_756 ? Na1B Na1A O10 62.6(5) 2_746 2_746 ? Na1A Na1A O10 102.1(3) 2_756 2_746 ? Na1B Na1A Na1B 166.3(5) 2_746 1_545 ? Na1A Na1A Na1B 10.2(3) 2_756 1_545 ? O10 Na1A Na1B 106.2(4) 2_746 1_545 ? Na1B Na1A O1 106.0(4) 2_746 4_645 ? Na1A Na1A O1 96.9(5) 2_756 4_645 ? O10 Na1A O1 131.1(4) 2_746 4_645 ? Na1B Na1A O1 87.3(2) 1_545 4_645 ? Na1B Na1A Na3 99.9(7) 2_746 . ? Na1A Na1A Na3 75.14(14) 2_756 . ? O10 Na1A Na3 43.7(2) 2_746 . ? Na1B Na1A Na3 73.6(3) 1_545 . ? O1 Na1A Na3 101.5(3) 4_645 . ? Na1B Na1A Na2 27.1(4) 2_746 3_544 ? Na1A Na1A Na2 133.2(5) 2_756 3_544 ? O10 Na1A Na2 66.8(2) 2_746 3_544 ? Na1B Na1A Na2 143.5(3) 1_545 3_544 ? O1 Na1A Na2 125.2(2) 4_645 3_544 ? Na3 Na1A Na2 110.4(3) . 3_544 ? Na1A Na1B O10 79.6(6) 2_766 . ? Na1A Na1B Na2 139.9(5) 2_766 4_656 ? O10 Na1B Na2 99.5(3) . 4_656 ? Na1A Na1B O11 171.9(8) 2_766 1_656 ? O10 Na1B O11 93.8(4) . 1_656 ? Na2 Na1B O11 45.44(19) 4_656 1_656 ? Na1A Na1B O2 99.4(4) 2_766 3 ? O10 Na1B O2 125.0(4) . 3 ? Na2 Na1B O2 112.7(2) 4_656 3 ? O11 Na1B O2 80.57(15) 1_656 3 ? Na1A Na1B O7 87.6(5) 2_766 4_655 ? O10 Na1B O7 99.9(2) . 4_655 ? Na2 Na1B O7 52.82(15) 4_656 4_655 ? O11 Na1B O7 98.3(2) 1_656 4_655 ? O2 Na1B O7 135.1(3) 3 4_655 ? Na1A Na1B Na1A 12.7(4) 2_766 1_565 ? O10 Na1B Na1A 71.9(3) . 1_565 ? Na2 Na1B Na1A 129.7(3) 4_656 1_565 ? O11 Na1B Na1A 164.6(4) 1_656 1_565 ? O2 Na1B Na1A 112.0(2) 3 1_565 ? O7 Na1B Na1A 79.3(2) 4_655 1_565 ? Na1A Na1B Na3 59.2(6) 2_766 1_565 ? O10 Na1B Na3 29.78(16) . 1_565 ? Na2 Na1B Na3 129.2(3) 4_656 1_565 ? O11 Na1B Na3 112.8(4) 1_656 1_565 ? O2 Na1B Na3 104.0(2) 3 1_565 ? O7 Na1B Na3 117.18(18) 4_655 1_565 ? Na1A Na1B Na3 56.8(3) 1_565 1_565 ? Na1A Na1B Na2 151.4(5) 2_766 3 ? O10 Na1B Na2 125.0(3) . 3 ? Na2 Na1B Na2 57.55(16) 4_656 3 ? O11 Na1B Na2 32.97(19) 1_656 3 ? O2 Na1B Na2 55.81(12) 3 3 ? O7 Na1B Na2 100.6(2) 4_655 3 ? Na1A Na1B Na2 162.4(3) 1_565 3 ? Na3 Na1B Na2 134.8(2) 1_565 3 ? O9B Na2 O11 111.3(3) . 3_545 ? O9B Na2 O5 116.2(3) . . ? O11 Na2 O5 84.5(3) 3_545 . ? O9B Na2 O7 95.2(2) . 1_556 ? O11 Na2 O7 139.2(2) 3_545 1_556 ? O5 Na2 O7 111.74(16) . 1_556 ? O9B Na2 O9A 25.50(18) . . ? O11 Na2 O9A 133.4(3) 3_545 . ? O5 Na2 O9A 101.6(2) . . ? O7 Na2 O9A 81.67(16) 1_556 . ? O9B Na2 Na1B 131.7(3) . 4_646 ? O11 Na2 Na1B 71.13(18) 3_545 4_646 ? O5 Na2 Na1B 112.1(2) . 4_646 ? O7 Na2 Na1B 68.05(18) 1_556 4_646 ? O9A Na2 Na1B 140.9(3) . 4_646 ? O9B Na2 O8 139.7(2) . 1_556 ? O11 Na2 O8 108.2(3) 3_545 1_556 ? O5 Na2 O8 60.04(10) . 1_556 ? O7 Na2 O8 57.66(10) 1_556 1_556 ? O9A Na2 O8 114.79(18) . 1_556 ? Na1B Na2 O8 69.31(17) 4_646 1_556 ? O9B Na2 Si4 136.7(2) . . ? O11 Na2 Si4 94.4(3) 3_545 . ? O5 Na2 Si4 30.09(6) . . ? O7 Na2 Si4 85.86(12) 1_556 . ? O9A Na2 Si4 113.87(18) . . ? Na1B Na2 Si4 88.7(2) 4_646 . ? O8 Na2 Si4 30.22(6) 1_556 . ? O9B Na2 Si3 113.2(2) . 1_556 ? O11 Na2 Si3 134.7(3) 3_545 1_556 ? O5 Na2 Si3 83.72(12) . 1_556 ? O7 Na2 Si3 28.47(6) 1_556 1_556 ? O9A Na2 Si3 91.88(15) . 1_556 ? Na1B Na2 Si3 73.28(15) 4_646 1_556 ? O8 Na2 Si3 31.11(6) 1_556 1_556 ? Si4 Na2 Si3 57.52(7) . 1_556 ? O9B Na2 Na2 77.4(2) . 2_656 ? O11 Na2 Na2 39.2(3) 3_545 2_656 ? O5 Na2 Na2 117.33(15) . 2_656 ? O7 Na2 Na2 128.34(19) 1_556 2_656 ? O9A Na2 Na2 102.80(17) . 2_656 ? Na1B Na2 Na2 79.36(18) 4_646 2_656 ? O8 Na2 Na2 142.21(16) 1_556 2_656 ? Si4 Na2 Na2 133.50(7) . 2_656 ? Si3 Na2 Na2 150.5(2) 1_556 2_656 ? O9B Na2 Si2 96.2(2) . . ? O11 Na2 Si2 75.99(18) 3_545 . ? O5 Na2 Si2 25.70(6) . . ? O7 Na2 Si2 133.01(14) 1_556 . ? O9A Na2 Si2 89.80(18) . . ? Na1B Na2 Si2 128.9(2) 4_646 . ? O8 Na2 Si2 85.69(10) 1_556 . ? Si4 Na2 Si2 55.77(6) . . ? Si3 Na2 Si2 106.97(10) 1_556 . ? Na2 Na2 Si2 98.64(15) 2_656 . ? O9B Na2 Na3 65.8(2) . . ? O11 Na2 Na3 138.4(2) 3_545 . ? O5 Na2 Na3 63.73(18) . . ? O7 Na2 Na3 80.29(12) 1_556 . ? O9A Na2 Na3 42.2(2) . . ? Na1B Na2 Na3 143.97(18) 4_646 . ? O8 Na2 Na3 79.60(13) 1_556 . ? Si4 Na2 Na3 71.76(16) . . ? Si3 Na2 Na3 70.70(8) 1_556 . ? Na2 Na2 Na3 135.86(19) 2_656 . ? Si2 Na2 Na3 63.66(15) . . ? O10 Na3 O10 103.0(5) 2_746 1_545 ? O10 Na3 O9A 91.4(3) 2_746 . ? O10 Na3 O9A 60.0(2) 1_545 . ? O10 Na3 O9A 60.0(2) 2_746 2_756 ? O10 Na3 O9A 91.4(3) 1_545 2_756 ? O9A Na3 O9A 135.0(5) . 2_756 ? O10 Na3 Na1A 41.6(2) 2_746 . ? O10 Na3 Na1A 62.9(3) 1_545 . ? O9A Na3 Na1A 62.8(3) . . ? O9A Na3 Na1A 73.6(3) 2_756 . ? O10 Na3 Na1A 62.9(3) 2_746 2_756 ? O10 Na3 Na1A 41.6(2) 1_545 2_756 ? O9A Na3 Na1A 73.6(3) . 2_756 ? O9A Na3 Na1A 62.8(3) 2_756 2_756 ? Na1A Na3 Na1A 29.7(3) . 2_756 ? O10 Na3 Na2 130.17(16) 2_746 . ? O10 Na3 Na2 74.46(11) 1_545 . ? O9A Na3 Na2 43.25(17) . . ? O9A Na3 Na2 163.78(17) 2_756 . ? Na1A Na3 Na2 105.67(19) . . ? Na1A Na3 Na2 108.4(2) 2_756 . ? O10 Na3 Na2 74.46(11) 2_746 2_756 ? O10 Na3 Na2 130.17(16) 1_545 2_756 ? O9A Na3 Na2 163.78(17) . 2_756 ? O9A Na3 Na2 43.25(17) 2_756 2_756 ? Na1A Na3 Na2 108.4(2) . 2_756 ? Na1A Na3 Na2 105.67(19) 2_756 2_756 ? Na2 Na3 Na2 144.7(3) . 2_756 ? O10 Na3 Na1B 25.50(17) 2_746 2_746 ? O10 Na3 Na1B 83.3(3) 1_545 2_746 ? O9A Na3 Na1B 67.4(2) . 2_746 ? O9A Na3 Na1B 76.0(3) 2_756 2_746 ? Na1A Na3 Na1B 20.90(17) . 2_746 ? Na1A Na3 Na1B 49.6(2) 2_756 2_746 ? Na2 Na3 Na1B 109.32(15) . 2_746 ? Na2 Na3 Na1B 99.51(14) 2_756 2_746 ? O10 Na3 Na1B 83.3(3) 2_746 1_545 ? O10 Na3 Na1B 25.50(17) 1_545 1_545 ? O9A Na3 Na1B 76.0(3) . 1_545 ? O9A Na3 Na1B 67.4(2) 2_756 1_545 ? Na1A Na3 Na1B 49.6(2) . 1_545 ? Na1A Na3 Na1B 20.90(17) 2_756 1_545 ? Na2 Na3 Na1B 99.51(14) . 1_545 ? Na2 Na3 Na1B 109.32(15) 2_756 1_545 ? Na1B Na3 Na1B 70.1(3) 2_746 1_545 ? O9B O9A Na3 130.2(6) . . ? O9B O9A Na2 40.7(3) . . ? Na3 O9A Na2 94.6(3) . . ? O9A O9B Na2 113.8(4) . . ? Na1B O10 Na1A 37.8(3) . 2_766 ? Na1B O10 Na3 124.7(3) . 1_565 ? Na1A O10 Na3 94.8(3) 2_766 1_565 ? Na2 O11 Na2 101.6(5) 4 3_454 ? Na2 O11 Na1B 63.4(2) 4 1_454 ? Na2 O11 Na1B 100.8(3) 3_454 1_454 ? Na2 O11 Na1B 100.8(3) 4 2_656 ? Na2 O11 Na1B 63.4(2) 3_454 2_656 ? Na1B O11 Na1B 156.2(6) 1_454 2_656 ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_site_symmetry_A O9A H9A O3 0.978(6) 2.292(5) 2.916(5) 120.8(5) . O10 H10 O9A 0.972(7) 1.509(9) 2.414(6) 152.8(11) 1_565 _diffrn_measured_fraction_theta_max 1.000 _diffrn_reflns_theta_full 30.03 _diffrn_measured_fraction_theta_full 1.000 _refine_diff_density_max 1.104 _refine_diff_density_min -0.542 _refine_diff_density_rms 0.129