HYDROTERSKITE data_terskcsav _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H6 Na2 O18 Si6 Zr' _chemical_formula_weight 599.79 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source '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' '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' 'Zr' 'Zr' -2.9673 0.5597 '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+1/2, y+1/2, z+1/2' 'x, -y+1/2, z+1/2' 'x+1/2, y, -z' '-x, -y, -z' 'x-1/2, -y-1/2, -z-1/2' '-x, y-1/2, -z-1/2' '-x-1/2, -y, z' _cell_length_a 13.956(6) _cell_length_b 14.894(7) _cell_length_c 7.441(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1546.8(12) _cell_formula_units_Z 4 _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 2.576 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1184 _exptl_absorpt_coefficient_mu 1.332 _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 0.71070 _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 9925 _diffrn_reflns_av_R_equivalents 0.0509 _diffrn_reflns_av_sigmaI/netI 0.0240 _diffrn_reflns_limit_h_min -16 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 8 _diffrn_reflns_theta_min 2.73 _diffrn_reflns_theta_max 24.99 _reflns_number_total 1358 _reflns_number_gt 1080 _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^)+(0.0672P)^2^+5.2569P] 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_number_reflns 1358 _refine_ls_number_parameters 136 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0519 _refine_ls_R_factor_gt 0.0365 _refine_ls_wR_factor_ref 0.1067 _refine_ls_wR_factor_gt 0.0997 _refine_ls_goodness_of_fit_ref 0.984 _refine_ls_restrained_S_all 0.983 _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 Zr Zr 0.0000 1.0000 0.0000 0.0154(2) Uani 1 2 d S . . Si1 Si 0.33576(10) 0.12888(10) 0.76494(19) 0.0234(4) Uani 1 1 d . . . Si2 Si 0.13244(9) 0.14037(8) 0.29737(16) 0.0148(3) Uani 1 1 d . . . Si3 Si 0.11518(9) 0.15578(8) 0.71877(16) 0.0139(3) Uani 1 1 d . . . Na1 Na 0.5000 1.0000 0.5000 0.0291(7) Uani 1 2 d S . . Na2 Na 0.7500 0.0000 -0.0714(4) 0.0284(11) Uani 1.003(13) 2 d SP . . O1 O 0.2475(3) 0.1291(3) 0.2682(5) 0.0337(9) Uani 1 1 d D . . O2 O 0.2208(2) 0.1352(2) 0.7965(5) 0.0275(9) Uani 1 1 d . . . O3 O 0.6105(3) 0.1302(2) 0.4917(4) 0.0289(9) Uani 1 1 d . . . O4 O 0.0950(3) 0.2378(2) 0.2319(5) 0.0305(9) Uani 1 1 d . . . O5 O -0.1292(3) 0.2659(3) 0.7364(7) 0.0460(12) Uani 1 1 d D . . O6 O 0.0353(2) 0.0990(2) 0.8181(5) 0.0264(8) Uani 1 1 d . . . O7 O 0.0803(3) 0.0606(2) 0.1975(4) 0.0254(8) Uani 1 1 d . . . O8 O 0.3806(2) 0.0701(2) 0.9224(5) 0.0279(8) Uani 1 1 d . . . O9 O 0.3622(3) 0.0826(3) 0.5730(5) 0.0392(10) Uani 1 1 d D . . H1 H 0.235(4) 0.143(4) 0.142(3) 0.050 Uiso 1 1 d D . . H5 H -0.082(3) 0.232(4) 0.807(7) 0.050 Uiso 1 1 d D . . H9 H 0.391(4) 0.141(2) 0.601(9) 0.050 Uiso 1 1 d D . . 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 Zr 0.0164(4) 0.0173(4) 0.0125(3) -0.0027(3) 0.0011(2) -0.0010(3) Si1 0.0220(8) 0.0257(8) 0.0224(7) 0.0044(6) -0.0013(6) 0.0043(6) Si2 0.0203(7) 0.0128(6) 0.0113(6) -0.0001(5) -0.0006(5) -0.0016(5) Si3 0.0164(7) 0.0137(6) 0.0116(6) -0.0006(5) -0.0017(5) 0.0003(5) Na1 0.0244(15) 0.0237(15) 0.0392(18) -0.0103(13) 0.0086(13) -0.0056(12) Na2 0.0269(17) 0.0301(18) 0.0282(18) 0.000 0.000 0.0011(13) O1 0.028(2) 0.031(2) 0.041(2) -0.0006(18) 0.0077(18) 0.0020(16) O2 0.0181(19) 0.036(2) 0.0283(19) 0.0062(17) -0.0035(15) -0.0006(16) O3 0.045(2) 0.030(2) 0.0111(18) 0.0044(14) -0.0022(15) 0.0003(17) O4 0.037(2) 0.0178(19) 0.036(2) 0.0061(16) -0.0107(17) -0.0049(16) O5 0.030(2) 0.030(2) 0.078(3) 0.004(2) -0.010(2) 0.0017(17) O6 0.0203(18) 0.0305(19) 0.0284(19) 0.0078(16) 0.0008(15) -0.0051(16) O7 0.038(2) 0.0168(17) 0.0214(18) -0.0019(14) -0.0099(16) -0.0066(15) O8 0.0224(19) 0.035(2) 0.0266(19) 0.0041(17) -0.0054(15) 0.0083(16) O9 0.041(2) 0.053(3) 0.023(2) -0.002(2) -0.0016(18) 0.017(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 Zr O8 2.050(3) 8_664 ? Zr O8 2.050(3) 4_466 ? Zr O7 2.057(3) 5_565 ? Zr O7 2.057(3) 1_565 ? Zr O6 2.062(3) 5_566 ? Zr O6 2.062(3) 1_564 ? Zr Na2 3.5291(16) 1_465 ? Zr Na2 3.5291(16) 5_665 ? Zr Na1 3.7207(18) 4_455 ? Zr Na1 3.7207(18) 4_456 ? Si1 O8 1.590(4) . ? Si1 O2 1.624(4) . ? Si1 O9 1.629(4) . ? Si1 O5 1.642(4) 6_667 ? Si1 Na2 3.212(3) 5_656 ? Si2 O7 1.579(3) . ? Si2 O3 1.607(3) 4_456 ? Si2 O4 1.617(4) . ? Si2 O1 1.630(4) . ? Si2 Na2 3.145(2) 5_655 ? Si2 Na1 3.1719(15) 4_446 ? Si3 O6 1.582(4) . ? Si3 O2 1.613(3) . ? Si3 O4 1.613(4) 3 ? Si3 O3 1.613(3) 4_456 ? Si3 Na1 3.2585(15) 4_446 ? Na1 O9 2.347(4) 5_666 ? Na1 O9 2.347(4) 1_565 ? Na1 O3 2.478(4) 5_666 ? Na1 O3 2.478(4) 1_565 ? Na1 O7 2.672(4) 8_665 ? Na1 O7 2.672(4) 4_566 ? Na1 O6 2.833(4) 8_665 ? Na1 O6 2.833(4) 4_566 ? Na1 Si2 3.1719(15) 8_665 ? Na1 Si2 3.1719(15) 4_566 ? Na1 Si3 3.2584(15) 4_566 ? Na1 Si3 3.2584(15) 8_665 ? Na2 O8 2.375(4) 4_556 ? Na2 O8 2.375(4) 5_656 ? Na2 O1 2.417(5) 5_655 ? Na2 O1 2.417(5) 4 ? Na2 O7 2.702(4) 4 ? Na2 O7 2.702(4) 5_655 ? Na2 O2 2.899(4) 4_556 ? Na2 O2 2.899(4) 5_656 ? Na2 Si2 3.145(2) 5_655 ? Na2 Si2 3.145(2) 4 ? Na2 Si1 3.212(3) 4_556 ? Na2 Si1 3.212(3) 5_656 ? O1 Na2 2.417(5) 5_655 ? O2 Na2 2.899(4) 5_656 ? O3 Si2 1.607(3) 4_556 ? O3 Si3 1.613(3) 4_556 ? O3 Na1 2.478(4) 1_545 ? O4 Si3 1.613(4) 3_554 ? O5 Si1 1.642(4) 6_567 ? O6 Zr 2.062(3) 1_546 ? O6 Na1 2.833(4) 4_446 ? O7 Zr 2.057(3) 1_545 ? O7 Na1 2.672(4) 4_446 ? O7 Na2 2.702(4) 5_655 ? O8 Zr 2.050(3) 4_546 ? O8 Na2 2.375(4) 5_656 ? O9 Na1 2.347(4) 1_545 ? 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 O8 Zr O8 180.0 8_664 4_466 ? O8 Zr O7 91.03(15) 8_664 5_565 ? O8 Zr O7 88.97(15) 4_466 5_565 ? O8 Zr O7 88.97(15) 8_664 1_565 ? O8 Zr O7 91.03(15) 4_466 1_565 ? O7 Zr O7 180.000(1) 5_565 1_565 ? O8 Zr O6 90.85(14) 8_664 5_566 ? O8 Zr O6 89.15(14) 4_466 5_566 ? O7 Zr O6 91.42(14) 5_565 5_566 ? O7 Zr O6 88.58(14) 1_565 5_566 ? O8 Zr O6 89.15(14) 8_664 1_564 ? O8 Zr O6 90.85(14) 4_466 1_564 ? O7 Zr O6 88.58(14) 5_565 1_564 ? O7 Zr O6 91.42(14) 1_565 1_564 ? O6 Zr O6 180.0 5_566 1_564 ? O8 Zr Na2 139.58(11) 8_664 1_465 ? O8 Zr Na2 40.42(11) 4_466 1_465 ? O7 Zr Na2 49.74(11) 5_565 1_465 ? O7 Zr Na2 130.26(11) 1_565 1_465 ? O6 Zr Na2 82.09(10) 5_566 1_465 ? O6 Zr Na2 97.91(10) 1_564 1_465 ? O8 Zr Na2 40.42(11) 8_664 5_665 ? O8 Zr Na2 139.58(11) 4_466 5_665 ? O7 Zr Na2 130.26(11) 5_565 5_665 ? O7 Zr Na2 49.74(11) 1_565 5_665 ? O6 Zr Na2 97.91(10) 5_566 5_665 ? O6 Zr Na2 82.09(10) 1_564 5_665 ? Na2 Zr Na2 180.0 1_465 5_665 ? O8 Zr Na1 73.63(10) 8_664 4_455 ? O8 Zr Na1 106.37(10) 4_466 4_455 ? O7 Zr Na1 44.40(10) 5_565 4_455 ? O7 Zr Na1 135.60(10) 1_565 4_455 ? O6 Zr Na1 131.03(10) 5_566 4_455 ? O6 Zr Na1 48.97(10) 1_564 4_455 ? Na2 Zr Na1 81.34(5) 1_465 4_455 ? Na2 Zr Na1 98.66(5) 5_665 4_455 ? O8 Zr Na1 106.37(10) 8_664 4_456 ? O8 Zr Na1 73.63(10) 4_466 4_456 ? O7 Zr Na1 135.60(10) 5_565 4_456 ? O7 Zr Na1 44.40(10) 1_565 4_456 ? O6 Zr Na1 48.97(10) 5_566 4_456 ? O6 Zr Na1 131.03(10) 1_564 4_456 ? Na2 Zr Na1 98.66(5) 1_465 4_456 ? Na2 Zr Na1 81.34(5) 5_665 4_456 ? Na1 Zr Na1 180.0 4_455 4_456 ? O8 Si1 O2 108.31(19) . . ? O8 Si1 O9 108.9(2) . . ? O2 Si1 O9 112.0(2) . . ? O8 Si1 O5 114.4(2) . 6_667 ? O2 Si1 O5 103.9(2) . 6_667 ? O9 Si1 O5 109.4(2) . 6_667 ? O8 Si1 Na2 45.16(13) . 5_656 ? O2 Si1 Na2 64.16(13) . 5_656 ? O9 Si1 Na2 117.00(18) . 5_656 ? O5 Si1 Na2 133.30(18) 6_667 5_656 ? O7 Si2 O3 107.51(19) . 4_456 ? O7 Si2 O4 112.6(2) . . ? O3 Si2 O4 108.5(2) 4_456 . ? O7 Si2 O1 108.3(2) . . ? O3 Si2 O1 108.0(2) 4_456 . ? O4 Si2 O1 111.7(2) . . ? O7 Si2 Na2 59.23(14) . 5_655 ? O3 Si2 Na2 124.00(16) 4_456 5_655 ? O4 Si2 Na2 127.14(16) . 5_655 ? O1 Si2 Na2 49.16(15) . 5_655 ? O7 Si2 Na1 57.27(13) . 4_446 ? O3 Si2 Na1 50.36(14) 4_456 4_446 ? O4 Si2 Na1 123.13(15) . 4_446 ? O1 Si2 Na1 124.74(16) . 4_446 ? Na2 Si2 Na1 96.89(5) 5_655 4_446 ? O6 Si3 O2 112.02(19) . . ? O6 Si3 O4 112.0(2) . 3 ? O2 Si3 O4 108.9(2) . 3 ? O6 Si3 O3 107.4(2) . 4_456 ? O2 Si3 O3 109.9(2) . 4_456 ? O4 Si3 O3 106.5(2) 3 4_456 ? O6 Si3 Na1 60.37(14) . 4_446 ? O2 Si3 Na1 119.65(15) . 4_446 ? O4 Si3 Na1 130.10(14) 3 4_446 ? O3 Si3 Na1 47.66(14) 4_456 4_446 ? O9 Na1 O9 180.000(1) 5_666 1_565 ? O9 Na1 O3 96.07(14) 5_666 5_666 ? O9 Na1 O3 83.93(14) 1_565 5_666 ? O9 Na1 O3 83.93(14) 5_666 1_565 ? O9 Na1 O3 96.07(14) 1_565 1_565 ? O3 Na1 O3 180.0 5_666 1_565 ? O9 Na1 O7 88.39(13) 5_666 8_665 ? O9 Na1 O7 91.61(13) 1_565 8_665 ? O3 Na1 O7 59.72(10) 5_666 8_665 ? O3 Na1 O7 120.29(10) 1_565 8_665 ? O9 Na1 O7 91.61(13) 5_666 4_566 ? O9 Na1 O7 88.39(13) 1_565 4_566 ? O3 Na1 O7 120.28(10) 5_666 4_566 ? O3 Na1 O7 59.72(10) 1_565 4_566 ? O7 Na1 O7 180.00(13) 8_665 4_566 ? O9 Na1 O6 93.62(13) 5_666 8_665 ? O9 Na1 O6 86.38(13) 1_565 8_665 ? O3 Na1 O6 57.54(10) 5_666 8_665 ? O3 Na1 O6 122.46(10) 1_565 8_665 ? O7 Na1 O6 117.08(10) 8_665 8_665 ? O7 Na1 O6 62.92(10) 4_566 8_665 ? O9 Na1 O6 86.38(13) 5_666 4_566 ? O9 Na1 O6 93.62(13) 1_565 4_566 ? O3 Na1 O6 122.46(10) 5_666 4_566 ? O3 Na1 O6 57.54(10) 1_565 4_566 ? O7 Na1 O6 62.92(10) 8_665 4_566 ? O7 Na1 O6 117.08(10) 4_566 4_566 ? O6 Na1 O6 180.00(12) 8_665 4_566 ? O9 Na1 Si2 91.27(11) 5_666 8_665 ? O9 Na1 Si2 88.73(11) 1_565 8_665 ? O3 Na1 Si2 29.96(8) 5_666 8_665 ? O3 Na1 Si2 150.04(8) 1_565 8_665 ? O7 Na1 Si2 29.81(7) 8_665 8_665 ? O7 Na1 Si2 150.19(7) 4_566 8_665 ? O6 Na1 Si2 87.29(8) 8_665 8_665 ? O6 Na1 Si2 92.71(8) 4_566 8_665 ? O9 Na1 Si2 88.73(11) 5_666 4_566 ? O9 Na1 Si2 91.27(11) 1_565 4_566 ? O3 Na1 Si2 150.04(8) 5_666 4_566 ? O3 Na1 Si2 29.96(8) 1_565 4_566 ? O7 Na1 Si2 150.19(7) 8_665 4_566 ? O7 Na1 Si2 29.81(7) 4_566 4_566 ? O6 Na1 Si2 92.71(8) 8_665 4_566 ? O6 Na1 Si2 87.29(8) 4_566 4_566 ? Si2 Na1 Si2 180.0 8_665 4_566 ? O9 Na1 Si3 81.56(12) 5_666 4_566 ? O9 Na1 Si3 98.44(12) 1_565 4_566 ? O3 Na1 Si3 151.24(8) 5_666 4_566 ? O3 Na1 Si3 28.76(8) 1_565 4_566 ? O7 Na1 Si3 91.52(8) 8_665 4_566 ? O7 Na1 Si3 88.48(8) 4_566 4_566 ? O6 Na1 Si3 150.95(7) 8_665 4_566 ? O6 Na1 Si3 29.05(7) 4_566 4_566 ? Si2 Na1 Si3 121.28(4) 8_665 4_566 ? Si2 Na1 Si3 58.72(4) 4_566 4_566 ? O9 Na1 Si3 98.44(12) 5_666 8_665 ? O9 Na1 Si3 81.56(12) 1_565 8_665 ? O3 Na1 Si3 28.76(8) 5_666 8_665 ? O3 Na1 Si3 151.24(8) 1_565 8_665 ? O7 Na1 Si3 88.48(8) 8_665 8_665 ? O7 Na1 Si3 91.52(8) 4_566 8_665 ? O6 Na1 Si3 29.05(7) 8_665 8_665 ? O6 Na1 Si3 150.95(7) 4_566 8_665 ? Si2 Na1 Si3 58.72(4) 8_665 8_665 ? Si2 Na1 Si3 121.28(4) 4_566 8_665 ? Si3 Na1 Si3 180.0 4_566 8_665 ? O8 Na2 O8 124.3(2) 4_556 5_656 ? O8 Na2 O1 128.45(13) 4_556 5_655 ? O8 Na2 O1 86.78(13) 5_656 5_655 ? O8 Na2 O1 86.78(13) 4_556 4 ? O8 Na2 O1 128.45(13) 5_656 4 ? O1 Na2 O1 105.4(2) 5_655 4 ? O8 Na2 O7 133.43(11) 4_556 4 ? O8 Na2 O7 68.70(11) 5_656 4 ? O1 Na2 O7 93.88(14) 5_655 4 ? O1 Na2 O7 60.76(12) 4 4 ? O8 Na2 O7 68.70(11) 4_556 5_655 ? O8 Na2 O7 133.43(11) 5_656 5_655 ? O1 Na2 O7 60.76(12) 5_655 5_655 ? O1 Na2 O7 93.88(14) 4 5_655 ? O7 Na2 O7 139.36(18) 4 5_655 ? O8 Na2 O2 58.19(11) 4_556 4_556 ? O8 Na2 O2 82.43(13) 5_656 4_556 ? O1 Na2 O2 169.10(13) 5_655 4_556 ? O1 Na2 O2 82.70(13) 4 4_556 ? O7 Na2 O2 83.68(10) 4 4_556 ? O7 Na2 O2 126.88(10) 5_655 4_556 ? O8 Na2 O2 82.43(13) 4_556 5_656 ? O8 Na2 O2 58.19(11) 5_656 5_656 ? O1 Na2 O2 82.70(13) 5_655 5_656 ? O1 Na2 O2 169.10(13) 4 5_656 ? O7 Na2 O2 126.88(10) 4 5_656 ? O7 Na2 O2 83.68(10) 5_655 5_656 ? O2 Na2 O2 90.25(17) 4_556 5_656 ? O8 Na2 Si2 98.15(9) 4_556 5_655 ? O8 Na2 Si2 110.95(10) 5_656 5_655 ? O1 Na2 Si2 30.67(10) 5_655 5_655 ? O1 Na2 Si2 102.25(14) 4 5_655 ? O7 Na2 Si2 119.57(12) 4 5_655 ? O7 Na2 Si2 30.13(7) 5_655 5_655 ? O2 Na2 Si2 155.83(8) 4_556 5_655 ? O2 Na2 Si2 80.92(8) 5_656 5_655 ? O8 Na2 Si2 110.95(10) 4_556 4 ? O8 Na2 Si2 98.15(9) 5_656 4 ? O1 Na2 Si2 102.25(14) 5_655 4 ? O1 Na2 Si2 30.67(10) 4 4 ? O7 Na2 Si2 30.13(7) 4 4 ? O7 Na2 Si2 119.57(12) 5_655 4 ? O2 Na2 Si2 80.92(8) 4_556 4 ? O2 Na2 Si2 155.83(8) 5_656 4 ? Si2 Na2 Si2 115.35(11) 5_655 4 ? O8 Na2 Si1 28.34(9) 4_556 4_556 ? O8 Na2 Si1 102.55(13) 5_656 4_556 ? O1 Na2 Si1 154.19(10) 5_655 4_556 ? O1 Na2 Si1 87.71(10) 4 4_556 ? O7 Na2 Si1 111.93(8) 4 4_556 ? O7 Na2 Si1 96.87(8) 5_655 4_556 ? O2 Na2 Si1 30.27(8) 4_556 4_556 ? O2 Na2 Si1 82.06(11) 5_656 4_556 ? Si2 Na2 Si1 125.63(5) 5_655 4_556 ? Si2 Na2 Si1 100.18(5) 4 4_556 ? O8 Na2 Si1 102.55(13) 4_556 5_656 ? O8 Na2 Si1 28.34(9) 5_656 5_656 ? O1 Na2 Si1 87.71(10) 5_655 5_656 ? O1 Na2 Si1 154.19(10) 4 5_656 ? O7 Na2 Si1 96.87(8) 4 5_656 ? O7 Na2 Si1 111.93(8) 5_655 5_656 ? O2 Na2 Si1 82.06(11) 4_556 5_656 ? O2 Na2 Si1 30.27(8) 5_656 5_656 ? Si2 Na2 Si1 100.18(5) 5_655 5_656 ? Si2 Na2 Si1 125.63(5) 4 5_656 ? Si1 Na2 Si1 89.54(10) 4_556 5_656 ? Si2 O1 Na2 100.17(19) . 5_655 ? Si3 O2 Si1 149.5(2) . . ? Si3 O2 Na2 120.89(17) . 5_656 ? Si1 O2 Na2 85.57(14) . 5_656 ? Si2 O3 Si3 156.7(3) 4_556 4_556 ? Si2 O3 Na1 99.68(17) 4_556 1_545 ? Si3 O3 Na1 103.57(17) 4_556 1_545 ? Si3 O4 Si2 147.6(3) 3_554 . ? Si3 O6 Zr 149.0(2) . 1_546 ? Si3 O6 Na1 90.58(16) . 4_446 ? Zr O6 Na1 97.72(13) 1_546 4_446 ? Si2 O7 Zr 156.6(2) . 1_545 ? Si2 O7 Na1 92.92(15) . 4_446 ? Zr O7 Na1 103.00(14) 1_545 4_446 ? Si2 O7 Na2 90.64(16) . 5_655 ? Zr O7 Na2 94.75(14) 1_545 5_655 ? Na1 O7 Na2 123.19(14) 4_446 5_655 ? Si1 O8 Zr 143.9(2) . 4_546 ? Si1 O8 Na2 106.50(17) . 5_656 ? Zr O8 Na2 105.55(15) 4_546 5_656 ? Si1 O9 Na1 127.6(2) . 1_545 ? 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 O1 H1 O2 0.976(10) 2.58(2) 3.531(6) 164(5) 1_554 O5 H5 O4 0.979(10) 2.57(6) 3.131(6) 116(4) 3 O5 H5 O6 0.979(10) 2.58(4) 3.438(6) 147(5) . O9 H9 O5 0.981(10) 1.86(5) 2.668(6) 137(5) 6_667 O9 H9 O3 0.981(10) 3.17(6) 3.588(6) 107(4) . _diffrn_measured_fraction_theta_max 0.997 _diffrn_reflns_theta_full 24.99 _diffrn_measured_fraction_theta_full 0.997 _refine_diff_density_max 0.931 _refine_diff_density_min -0.583 _refine_diff_density_rms 0.160