#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/91/1519107.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1519107 loop_ _publ_author_name 'Sergii V. Radio' 'Nadija I. Gumerova' 'Vyacheslav N. Baumer' _publ_section_title ; Crystal Structure of Sodium-Strontium Paratungstate B, Na6Sr2[W12O40(OH)2].24H2O. ; _journal_name_full 'Journal of Structural Chemistry' _journal_page_first 97 _journal_page_last 103 _journal_volume 54 _journal_year 2013 _chemical_formula_moiety '6Na, 2Sr, [WO40(OH)2], 24(H2O)' _chemical_formula_sum 'H50 Na6 O66 Sr2 W12' _chemical_formula_weight 3625.78 _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _cell_angle_alpha 90 _cell_angle_beta 93.440(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 12.5435(3) _cell_length_b 12.1544(3) _cell_length_c 18.8080(4) _cell_measurement_temperature 293(2) _cell_volume 2862.28(12) _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.985 _diffrn_measured_fraction_theta_max 0.9 _diffrn_measurement_device_type 'Xcalibur-3 (Oxford Diffraction Ltd.)' _diffrn_measurement_method \w/\q-scans _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0555 _diffrn_reflns_av_unetI/netI 0.0652 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_number 31652 _diffrn_reflns_theta_full 30 _diffrn_reflns_theta_max 32.54 _diffrn_reflns_theta_min 3.25 _exptl_absorpt_coefficient_mu 26.026 _exptl_absorpt_correction_T_max 0.1117 _exptl_absorpt_correction_T_min 0.0396 _exptl_absorpt_correction_type multi-scan _exptl_crystal_colour colourless _exptl_crystal_density_diffrn 4.207 _exptl_crystal_density_method 'not measured' _exptl_crystal_description prism _exptl_crystal_F_000 3216 _exptl_crystal_size_max 0.35 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.15 _refine_diff_density_max 1.879 _refine_diff_density_min -1.811 _refine_diff_density_rms 0.336 _refine_ls_extinction_coef 0.000604(7) _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 0.979 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 389 _refine_ls_number_reflns 9354 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.979 _refine_ls_R_factor_all 0.0469 _refine_ls_R_factor_gt 0.0274 _refine_ls_shift/su_max 0.006 _refine_ls_shift/su_mean 0 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0030P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_ref 0.0446 _reflns_number_gt 6913 _reflns_number_total 9354 _reflns_threshold_expression >2sigma(I) _cod_data_source_file JSC-2013-54-97-103.cif _cod_data_source_block d7_icsd _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to the built-in table from CIF Core dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas ; _cod_original_sg_symbol_H-M 'P 21/n' _cod_database_code 1519107 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol W1 0.397695(13) 0.259038(15) 0.430812(10) 0.00806(4) Uani d . 1 . . W W2 0.526569(13) 0.054770(15) 0.356395(10) 0.00682(4) Uani d . 1 . . W W3 0.814493(13) 0.071897(16) 0.396620(10) 0.00901(4) Uani d . 1 . . W W4 0.294208(13) 0.004939(15) 0.429221(10) 0.00721(4) Uani d . 1 . . W W5 0.687139(13) 0.266568(15) 0.477188(10) 0.00855(4) Uani d . 1 . . W W6 0.710292(14) -0.175044(15) 0.400817(10) 0.00868(4) Uani d . 1 . . W Sr1 0.67599(3) -0.12961(4) 0.20827(3) 0.01409(10) Uani d . 1 . . Sr Na1 0.98278(16) 0.15062(19) 0.54277(13) 0.0294(6) Uani d . 1 . . Na Na2 0.59182(17) 0.15476(18) 0.16983(12) 0.0248(5) Uani d . 1 . . Na Na3 0.62121(19) 0.4419(2) 0.65123(14) 0.0353(7) Uani d . 1 . . Na O1 0.4629(3) 0.2116(3) 0.34993(18) 0.0126(7) Uani d . 1 . . O O2 0.5395(2) 0.2944(3) 0.47300(18) 0.0125(8) Uani d . 1 . . O O3 0.2770(2) 0.1728(3) 0.41008(17) 0.0115(7) Uani d . 1 . . O O4 0.3587(2) 0.2553(3) 0.53080(18) 0.0124(7) Uani d . 1 . . O O5 0.4517(2) 0.0865(3) 0.45884(17) 0.0088(7) Uani d . 1 . . O O6 0.3530(3) 0.3892(3) 0.40781(19) 0.0174(8) Uani d . 1 . . O O7 0.5586(2) 0.0438(3) 0.26900(18) 0.0147(8) Uani d . 1 . . O O8 0.5628(2) -0.0757(3) 0.39218(17) 0.0101(7) Uani d . 1 . . O O9 0.6481(2) 0.1312(3) 0.39799(18) 0.0103(7) Uani d . 1 . . O O10 0.3746(2) 0.0136(3) 0.34471(16) 0.0100(7) Uani d . 1 . . O O11 0.7427(2) -0.0451(3) 0.47677(17) 0.0088(7) Uani d . 1 . . O O12 0.8404(3) 0.1608(3) 0.32625(19) 0.0170(8) Uani d . 1 . . O O13 0.7558(2) -0.0481(3) 0.34281(18) 0.0118(7) Uani d . 1 . . O O14 0.8151(2) 0.1754(3) 0.47336(19) 0.0133(8) Uani d . 1 . . O O15 0.9403(2) 0.0171(3) 0.4215(2) 0.0183(9) Uani d . 1 . . O O16 0.3508(2) -0.1259(3) 0.45566(17) 0.0104(7) Uani d . 1 . . O O17 0.1703(2) -0.0286(3) 0.3893(2) 0.0192(9) Uani d . 1 . . O O18 0.7277(2) 0.3455(3) 0.55186(18) 0.0154(8) Uani d . 1 . . O O19 0.7207(2) 0.3513(3) 0.40715(19) 0.0150(8) Uani d . 1 . . O O20 0.6578(3) -0.2404(3) 0.32319(18) 0.0148(8) Uani d . 1 . . O O21 0.8379(2) -0.2308(3) 0.41448(19) 0.0169(8) Uani d . 1 . . O O22 0.7733(3) 0.0478(3) 0.1928(2) 0.0317(11) Uani d . 1 . . O O23 0.4721(3) -0.1718(4) 0.1972(2) 0.0322(11) Uani d . 1 . . O O24 0.5721(3) -0.0141(4) 0.1015(2) 0.0340(11) Uani d . 1 . . O O25 0.8847(3) -0.1907(3) 0.2435(2) 0.0261(10) Uani d . 1 . . O O26 0.9223(3) 0.2775(4) 0.6271(2) 0.0347(12) Uani d . 1 . . O O27 1.0666(3) 0.2062(4) 0.4270(3) 0.0436(14) Uani d . 1 . . O O28 0.5890(5) 0.2556(4) 0.6728(3) 0.0515(15) Uani d . 1 . . O O29 0.7857(3) 0.5103(5) 0.7087(2) 0.0461(14) Uani d . 1 . . O O30 0.4422(3) 0.4569(3) 0.5960(3) 0.0352(12) Uani d . 1 . . O O31 0.5296(4) 0.4906(5) 0.7645(3) 0.0513(15) Uani d . 1 . . O O32 0.8570(4) 0.5443(5) 0.5304(3) 0.0536(16) Uani d . 1 . . O O33 0.3043(4) 0.2857(5) 0.2401(3) 0.0719(19) Uani d . 1 . . O loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 W1 0.00912(7) 0.00839(8) 0.00688(8) 0.00156(6) 0.00226(6) 0.00124(7) W2 0.00756(7) 0.00937(8) 0.00376(8) 0.00027(6) 0.00234(6) -0.00003(7) W3 0.00829(7) 0.01099(8) 0.00814(9) -0.00030(6) 0.00378(6) 0.00025(7) W4 0.00690(7) 0.01022(8) 0.00465(8) -0.00037(6) 0.00167(6) 0.00017(7) W5 0.00888(7) 0.00964(8) 0.00732(9) -0.00058(6) 0.00209(6) -0.00020(7) W6 0.01086(7) 0.00939(8) 0.00621(8) 0.00118(6) 0.00401(6) -0.00040(7) Sr1 0.0184(2) 0.0142(2) 0.0100(2) 0.00021(17) 0.00401(17) 0.00136(18) Na1 0.0280(11) 0.0277(13) 0.0312(14) 0.0082(9) -0.0095(10) -0.0022(11) Na2 0.0305(11) 0.0255(12) 0.0188(12) -0.0011(9) 0.0050(9) 0.0091(10) Na3 0.0410(13) 0.0250(13) 0.0393(16) -0.0094(10) -0.0034(11) 0.0075(12) O1 0.0186(15) 0.0122(16) 0.0073(16) 0.0005(13) 0.0025(13) 0.0013(14) O2 0.0114(14) 0.0143(17) 0.0122(17) 0.0008(12) 0.0033(13) -0.0042(14) O3 0.0082(13) 0.0185(17) 0.0082(16) 0.0035(12) 0.0030(12) 0.0058(14) O4 0.0205(15) 0.0091(16) 0.0074(16) -0.0029(13) 0.0009(13) -0.0021(14) O5 0.0082(13) 0.0109(15) 0.0072(16) 0.0015(11) 0.0000(11) -0.0020(13) O6 0.0213(16) 0.0183(18) 0.0129(18) 0.0078(14) 0.0030(14) -0.0014(15) O7 0.0167(15) 0.0159(17) 0.0117(18) 0.0026(13) 0.0026(13) 0.0016(15) O8 0.0102(13) 0.0117(16) 0.0084(16) 0.0004(12) -0.0005(12) 0.0021(14) O9 0.0073(13) 0.0102(15) 0.0134(17) 0.0016(12) 0.0012(12) -0.0045(14) O10 0.0134(14) 0.0151(16) 0.0011(14) -0.0013(12) -0.0024(12) 0.0004(13) O11 0.0117(13) 0.0079(15) 0.0072(16) 0.0012(12) 0.0039(12) -0.0015(13) O12 0.0164(15) 0.0177(18) 0.0172(19) -0.0021(13) 0.0055(14) 0.0059(16) O13 0.0158(14) 0.0113(16) 0.0087(16) 0.0014(12) 0.0031(13) -0.0015(14) O14 0.0121(14) 0.0100(16) 0.0178(18) -0.0006(12) -0.0007(13) -0.0005(15) O15 0.0092(14) 0.024(2) 0.022(2) -0.0002(13) 0.0052(13) 0.0024(17) O16 0.0149(14) 0.0107(16) 0.0056(16) -0.0010(12) 0.0014(12) -0.0059(13) O17 0.0088(14) 0.027(2) 0.021(2) 0.0014(14) -0.0029(14) -0.0039(17) O18 0.0173(15) 0.0161(18) 0.0131(18) -0.0075(13) 0.0044(14) -0.0066(15) O19 0.0146(15) 0.0189(18) 0.0120(17) 0.0036(13) 0.0043(13) 0.0043(15) O20 0.0230(16) 0.0107(16) 0.0108(17) -0.0036(13) 0.0023(14) -0.0007(14) O21 0.0132(14) 0.0246(19) 0.0131(18) 0.0074(14) 0.0040(13) -0.0019(16) O22 0.041(2) 0.022(2) 0.032(3) -0.0109(18) 0.0053(19) 0.002(2) O23 0.0279(19) 0.034(2) 0.035(3) -0.0053(17) 0.0041(18) 0.001(2) O24 0.030(2) 0.050(3) 0.023(2) 0.0067(19) 0.0089(18) 0.008(2) O25 0.0248(18) 0.032(2) 0.022(2) 0.0055(16) 0.0036(16) -0.0082(19) O26 0.0204(18) 0.045(3) 0.039(3) 0.0003(18) 0.0001(18) -0.005(2) O27 0.025(2) 0.051(3) 0.055(3) 0.0139(19) 0.001(2) 0.006(3) O28 0.086(4) 0.031(3) 0.040(3) -0.001(3) 0.024(3) -0.001(2) O29 0.045(2) 0.069(4) 0.023(2) 0.004(2) -0.013(2) 0.000(3) O30 0.044(2) 0.024(2) 0.036(3) 0.0038(18) -0.008(2) -0.009(2) O31 0.045(3) 0.077(4) 0.032(3) -0.004(3) 0.008(2) -0.003(3) O32 0.037(2) 0.071(4) 0.053(3) 0.006(2) 0.012(2) -0.016(3) O33 0.070(3) 0.093(5) 0.049(4) 0.030(3) -0.023(3) -0.019(3) 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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' W W -0.849 6.8722 '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' 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 O6 W1 O1 103.38(16) . . O6 W1 O3 102.44(15) . . O1 W1 O3 92.62(14) . . O6 W1 O2 100.06(15) . . O1 W1 O2 88.08(14) . . O3 W1 O2 156.67(14) . . O6 W1 O4 99.47(15) . . O1 W1 O4 156.73(14) . . O3 W1 O4 86.68(14) . . O2 W1 O4 83.63(14) . . O6 W1 O5 178.17(13) . . O1 W1 O5 76.27(13) . . O3 W1 O5 75.81(12) . . O2 W1 O5 81.73(12) . . O4 W1 O5 81.03(13) . . O7 W2 O8 102.95(16) . . O7 W2 O9 101.68(15) . . O8 W2 O9 95.72(13) . . O7 W2 O10 98.83(14) . . O8 W2 O10 92.25(13) . . O9 W2 O10 155.69(14) . . O7 W2 O1 97.30(15) . . O8 W2 O1 159.58(15) . . O9 W2 O1 82.64(13) . . O10 W2 O1 81.93(13) . . O7 W2 O5 167.09(13) . . O8 W2 O5 86.46(14) . . O9 W2 O5 85.93(13) . . O10 W2 O5 71.66(12) . . O1 W2 O5 73.12(13) . . O15 W3 O12 103.40(16) . . O15 W3 O13 99.49(15) . . O12 W3 O13 98.88(15) . . O15 W3 O14 94.92(15) . . O12 W3 O14 99.87(16) . . O13 W3 O14 152.95(14) . . O15 W3 O9 163.33(15) . . O12 W3 O9 91.45(14) . . O13 W3 O9 85.44(12) . . O14 W3 O9 74.79(12) . . O15 W3 O11 88.36(14) . . O12 W3 O11 167.14(12) . . O13 W3 O11 73.70(13) . . O14 W3 O11 84.02(13) . . O9 W3 O11 77.68(11) . . O15 W3 Na1 53.28(13) . . O12 W3 Na1 107.11(11) . . O13 W3 Na1 145.66(10) . . O14 W3 Na1 41.64(9) . . O9 W3 Na1 115.31(9) . . O11 W3 Na1 83.99(8) . . O17 W4 O16 103.90(15) . . O17 W4 O11 101.51(15) . 3_656 O16 W4 O11 94.79(14) . 3_656 O17 W4 O10 98.90(15) . . O16 W4 O10 93.35(14) . . O11 W4 O10 155.48(13) 3_656 . O17 W4 O3 94.30(15) . . O16 W4 O3 161.71(12) . . O11 W4 O3 83.20(13) 3_656 . O10 W4 O3 81.85(13) . . O17 W4 O5 164.11(15) . . O16 W4 O5 89.71(12) . . O11 W4 O5 85.21(12) 3_656 . O10 W4 O5 71.73(12) . . O3 W4 O5 72.01(11) . . O19 W5 O18 102.16(16) . . O19 W5 O2 98.28(15) . . O18 W5 O2 99.96(15) . . O19 W5 O14 94.07(15) . . O18 W5 O14 98.09(14) . . O2 W5 O14 155.41(14) . . O19 W5 O16 164.91(14) . 3_656 O18 W5 O16 91.60(14) . 3_656 O2 W5 O16 85.24(13) . 3_656 O14 W5 O16 77.68(13) . 3_656 O19 W5 O9 89.11(14) . . O18 W5 O9 166.27(14) . . O2 W5 O9 85.95(12) . . O14 W5 O9 73.02(12) . . O16 W5 O9 76.46(12) 3_656 . O21 W6 O20 104.00(16) . . O21 W6 O4 98.91(16) . 3_656 O20 W6 O4 99.78(15) . 3_656 O21 W6 O13 95.22(15) . . O20 W6 O13 90.04(14) . . O4 W6 O13 160.25(14) 3_656 . O21 W6 O11 92.98(14) . . O20 W6 O11 158.59(13) . . O4 W6 O11 90.19(13) 3_656 . O13 W6 O11 75.30(13) . . O21 W6 O8 169.08(14) . . O20 W6 O8 85.15(14) . . O4 W6 O8 85.14(13) 3_656 . O13 W6 O8 78.61(12) . . O11 W6 O8 76.80(11) . . O21 W6 Na2 34.12(12) . 2_645 O20 W6 Na2 70.16(11) . 2_645 O4 W6 Na2 108.46(11) 3_656 2_645 O13 W6 Na2 90.96(10) . 2_645 O11 W6 Na2 124.58(8) . 2_645 O8 W6 Na2 153.26(9) . 2_645 O21 W6 Sr1 104.88(12) . . O20 W6 Sr1 39.65(11) . . O4 W6 Sr1 136.68(9) 3_656 . O13 W6 Sr1 50.41(9) . . O11 W6 Sr1 123.51(9) . . O8 W6 Sr1 78.26(9) . . Na2 W6 Sr1 76.18(4) 2_645 . O22 Sr1 O20 128.16(12) . . O22 Sr1 O19 73.14(13) . 2_645 O20 Sr1 O19 136.75(11) . 2_645 O22 Sr1 O23 130.05(14) . . O20 Sr1 O23 80.08(12) . . O19 Sr1 O23 116.81(12) 2_645 . O22 Sr1 O12 146.72(13) . 2_645 O20 Sr1 O12 71.98(11) . 2_645 O19 Sr1 O12 75.14(11) 2_645 2_645 O23 Sr1 O12 74.23(12) . 2_645 O22 Sr1 O24 71.63(13) . . O20 Sr1 O24 146.07(12) . . O19 Sr1 O24 70.77(11) 2_645 . O23 Sr1 O24 67.51(13) . . O12 Sr1 O24 106.90(12) 2_645 . O22 Sr1 O25 78.33(13) . . O20 Sr1 O25 77.77(12) . . O19 Sr1 O25 70.38(11) 2_645 . O23 Sr1 O25 151.41(13) . . O12 Sr1 O25 81.84(11) 2_645 . O24 Sr1 O25 136.15(13) . . O22 Sr1 O13 69.80(12) . . O20 Sr1 O13 58.55(10) . . O19 Sr1 O13 127.35(9) 2_645 . O23 Sr1 O13 115.57(12) . . O12 Sr1 O13 125.07(10) 2_645 . O24 Sr1 O13 127.23(12) . . O25 Sr1 O13 66.57(10) . . O22 Sr1 O7 71.12(12) . . O20 Sr1 O7 88.65(10) . . O19 Sr1 O7 134.04(10) 2_645 . O23 Sr1 O7 69.46(12) . . O12 Sr1 O7 141.25(10) 2_645 . O24 Sr1 O7 71.20(12) . . O25 Sr1 O7 127.42(10) . . O13 Sr1 O7 63.14(9) . . O22 Sr1 W6 102.43(10) . . O20 Sr1 W6 25.86(7) . . O19 Sr1 W6 140.88(7) 2_645 . O23 Sr1 W6 96.09(10) . . O12 Sr1 W6 95.78(8) 2_645 . O24 Sr1 W6 146.20(9) . . O25 Sr1 W6 70.68(9) . . O13 Sr1 W6 32.70(7) . . O7 Sr1 W6 75.40(7) . . O22 Sr1 Na2 45.80(10) . . O20 Sr1 Na2 128.32(9) . . O19 Sr1 Na2 94.09(8) 2_645 . O23 Sr1 Na2 84.27(10) . . O12 Sr1 Na2 147.61(8) 2_645 . O24 Sr1 Na2 41.34(10) . . O25 Sr1 Na2 123.84(9) . . O13 Sr1 Na2 85.92(7) . . O7 Sr1 Na2 39.96(8) . . W6 Sr1 Na2 110.59(4) . . O22 Sr1 Na2 104.99(10) . 2_645 O20 Sr1 Na2 49.16(8) . 2_645 O19 Sr1 Na2 91.95(8) 2_645 2_645 O23 Sr1 Na2 122.31(10) . 2_645 O12 Sr1 Na2 66.19(8) 2_645 2_645 O24 Sr1 Na2 162.69(10) . 2_645 O25 Sr1 Na2 30.35(9) . 2_645 O13 Sr1 Na2 64.04(7) . 2_645 O7 Sr1 Na2 124.55(7) . 2_645 W6 Sr1 Na2 50.77(3) . 2_645 Na2 Sr1 Na2 145.79(4) . 2_645 O15 Na1 O26 121.26(18) 3_756 . O15 Na1 O14 126.33(15) 3_756 . O26 Na1 O14 88.69(14) . . O15 Na1 O21 84.31(13) 3_756 3_756 O26 Na1 O21 81.45(14) . 3_756 O14 Na1 O21 147.79(15) . 3_756 O15 Na1 O27 106.89(16) 3_756 . O26 Na1 O27 124.11(19) . . O14 Na1 O27 84.07(14) . . O21 Na1 O27 76.54(14) 3_756 . O15 Na1 O17 71.88(13) 3_756 3_656 O26 Na1 O17 77.48(15) . 3_656 O14 Na1 O17 73.42(12) . 3_656 O21 Na1 O17 132.78(14) 3_756 3_656 O27 Na1 O17 148.82(15) . 3_656 O15 Na1 O15 77.62(14) 3_756 . O26 Na1 O15 149.56(14) . . O14 Na1 O15 61.40(12) . . O21 Na1 O15 126.68(14) 3_756 . O27 Na1 O15 62.13(14) . . O17 Na1 O15 87.87(12) 3_656 . O15 Na1 W3 101.93(11) 3_756 . O26 Na1 W3 120.11(11) . . O14 Na1 W3 31.61(9) . . O21 Na1 W3 146.71(13) 3_756 . O27 Na1 W3 70.33(11) . . O17 Na1 W3 79.36(8) 3_656 . O15 Na1 W3 29.79(7) . . O15 Na1 Na2 104.49(11) 3_756 4_666 O26 Na1 Na2 41.15(10) . 4_666 O14 Na1 Na2 124.19(12) . 4_666 O21 Na1 Na2 40.36(9) 3_756 4_666 O27 Na1 Na2 103.51(14) . 4_666 O17 Na1 Na2 106.93(11) 3_656 4_666 O15 Na1 Na2 165.04(12) . 4_666 W3 Na1 Na2 153.50(8) . 4_666 O15 Na1 Na1 43.15(10) 3_756 3_756 O26 Na1 Na1 154.74(17) . 3_756 O14 Na1 Na1 90.46(11) . 3_756 O21 Na1 Na1 111.15(12) 3_756 3_756 O27 Na1 Na1 80.86(14) . 3_756 O17 Na1 Na1 78.10(11) 3_656 3_756 O15 Na1 Na1 34.47(8) . 3_756 W3 Na1 Na1 60.80(5) . 3_756 Na2 Na1 Na1 145.23(9) 4_666 3_756 O21 Na2 O7 167.04(14) 2_655 . O21 Na2 O26 85.99(15) 2_655 4_565 O7 Na2 O26 105.60(16) . 4_565 O21 Na2 O24 100.14(16) 2_655 . O7 Na2 O24 85.27(15) . . O26 Na2 O24 93.05(16) 4_565 . O21 Na2 O25 87.72(15) 2_655 2_655 O7 Na2 O25 86.18(14) . 2_655 O26 Na2 O25 91.64(16) 4_565 2_655 O24 Na2 O25 171.10(17) . 2_655 O21 Na2 O22 92.76(15) 2_655 . O7 Na2 O22 77.28(14) . . O26 Na2 O22 166.87(18) 4_565 . O24 Na2 O22 74.28(14) . . O25 Na2 O22 101.38(14) 2_655 . O21 Na2 W6 24.89(8) 2_655 2_655 O7 Na2 W6 142.17(11) . 2_655 O26 Na2 W6 107.65(13) 4_565 2_655 O24 Na2 W6 110.25(13) . 2_655 O25 Na2 W6 75.40(11) 2_655 2_655 O22 Na2 W6 74.47(10) . 2_655 O21 Na2 Na1 45.02(9) 2_655 4_565 O7 Na2 Na1 145.90(12) . 4_565 O26 Na2 Na1 41.03(12) 4_565 4_565 O24 Na2 Na1 100.56(12) . 4_565 O25 Na2 Na1 87.93(11) 2_655 4_565 O22 Na2 Na1 136.75(13) . 4_565 W6 Na2 Na1 67.19(5) 2_655 4_565 O21 Na2 Sr1 125.56(12) 2_655 . O7 Na2 Sr1 50.85(9) . . O26 Na2 Sr1 129.32(13) 4_565 . O24 Na2 Sr1 47.70(10) . . O25 Na2 Sr1 123.99(11) 2_655 . O22 Na2 Sr1 42.95(9) . . W6 Na2 Sr1 115.01(6) 2_655 . Na1 Na2 Sr1 147.99(8) 4_565 . O21 Na2 Sr1 74.66(10) 2_655 2_655 O7 Na2 Sr1 94.05(10) . 2_655 O26 Na2 Sr1 121.03(13) 4_565 2_655 O24 Na2 Sr1 144.45(12) . 2_655 O25 Na2 Sr1 34.06(9) 2_655 2_655 O22 Na2 Sr1 70.95(10) . 2_655 W6 Na2 Sr1 53.06(3) 2_655 2_655 Na1 Na2 Sr1 99.61(6) 4_565 2_655 Sr1 Na2 Sr1 106.33(5) . 2_655 O28 Na3 O6 162.0(2) . 3_666 O28 Na3 O29 114.0(2) . . O6 Na3 O29 76.94(16) 3_666 . O28 Na3 O30 88.97(19) . . O6 Na3 O30 83.27(15) 3_666 . O29 Na3 O30 155.4(2) . . O28 Na3 O31 89.4(2) . . O6 Na3 O31 105.78(18) 3_666 . O29 Na3 O31 87.80(18) . . O30 Na3 O31 83.60(18) . . O28 Na3 O18 78.04(17) . . O6 Na3 O18 87.90(15) 3_666 . O29 Na3 O18 90.85(16) . . O30 Na3 O18 103.02(16) . . O31 Na3 O18 165.54(18) . . W1 O1 W2 115.13(16) . . W5 O2 W1 148.09(19) . . W1 O3 W4 116.17(14) . . W6 O4 W1 145.10(18) 3_656 . W2 O5 W4 96.83(12) . . W2 O5 W1 95.46(12) . . W4 O5 W1 96.01(10) . . W1 O6 Na3 149.5(2) . 3_666 W2 O7 Na2 140.65(19) . . W2 O7 Sr1 126.62(16) . . Na2 O7 Sr1 89.19(13) . . W2 O8 W6 135.43(17) . . W2 O9 W3 124.54(16) . . W2 O9 W5 139.60(16) . . W3 O9 W5 94.48(11) . . W4 O10 W2 118.06(15) . . W4 O11 W6 138.81(17) 3_656 . W4 O11 W3 125.01(15) 3_656 . W6 O11 W3 94.86(12) . . W3 O12 Sr1 140.07(19) . 2_655 W3 O13 W6 114.69(17) . . W3 O13 Sr1 147.88(16) . . W6 O13 Sr1 96.90(12) . . W3 O14 W5 115.73(15) . . W3 O14 Na1 106.75(15) . . W5 O14 Na1 137.50(18) . . W3 O15 Na1 139.37(19) . 3_756 W3 O15 Na1 96.93(16) . . Na1 O15 Na1 102.38(14) 3_756 . W4 O16 W5 138.74(17) . 3_656 W4 O17 Na1 123.34(18) . 3_656 W5 O18 Na3 132.61(16) . . W5 O19 Sr1 146.85(18) . 2_655 W6 O20 Sr1 114.50(15) . . W6 O21 Na2 121.00(17) . 2_645 W6 O21 Na1 133.35(19) . 3_756 Na2 O21 Na1 94.63(13) 2_645 3_756 Sr1 O22 Na2 91.25(14) . . Na2 O24 Sr1 90.97(14) . . Na2 O25 Sr1 115.59(16) 2_645 . Na1 O26 Na2 97.82(16) . 4_666 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance W1 O6 . 1.725(3) W1 O1 . 1.861(3) W1 O3 . 1.863(3) W1 O2 . 1.951(3) W1 O4 . 1.972(3) W1 O5 . 2.257(3) W2 O7 . 1.721(4) W2 O8 . 1.772(3) W2 O9 . 1.912(3) W2 O10 . 1.970(3) W2 O1 . 2.068(3) W2 O5 . 2.227(3) W3 O15 . 1.750(3) W3 O12 . 1.754(4) W3 O13 . 1.898(3) W3 O14 . 1.914(3) W3 O9 . 2.210(3) W3 O11 . 2.295(3) W3 Na1 . 3.497(2) W4 O17 . 1.734(3) W4 O16 . 1.800(3) W4 O11 3_656 1.918(3) W4 O10 . 1.936(3) W4 O3 . 2.081(3) W4 O5 . 2.251(3) W5 O19 . 1.743(4) W5 O18 . 1.751(3) W5 O2 . 1.880(3) W5 O14 . 1.955(3) W5 O16 3_656 2.195(3) W5 O9 . 2.253(3) W6 O21 . 1.743(3) W6 O20 . 1.755(3) W6 O4 3_656 1.868(3) W6 O13 . 1.993(3) W6 O11 . 2.152(3) W6 O8 . 2.207(3) W6 Na2 2_645 3.550(2) W6 Sr1 . 3.6631(5) Sr1 O22 . 2.503(4) Sr1 O20 . 2.569(4) Sr1 O19 2_645 2.604(4) Sr1 O23 . 2.604(4) Sr1 O12 2_645 2.633(3) Sr1 O24 . 2.717(4) Sr1 O25 . 2.763(4) Sr1 O13 . 2.843(3) Sr1 O7 . 2.849(3) Sr1 Na2 . 3.673(2) Sr1 Na2 2_645 4.450(2) Na1 O15 3_756 2.337(4) Na1 O26 . 2.369(5) Na1 O14 . 2.427(4) Na1 O21 3_756 2.537(4) Na1 O27 . 2.565(6) Na1 O17 3_656 2.795(4) Na1 O15 . 2.824(4) Na1 Na2 4_666 3.576(3) Na1 Na1 3_756 4.033(5) Na2 O21 2_655 2.323(4) Na2 O7 . 2.359(4) Na2 O26 4_565 2.375(4) Na2 O24 . 2.426(5) Na2 O25 2_655 2.493(5) Na2 O22 . 2.634(5) Na2 W6 2_655 3.550(2) Na2 Na1 4_565 3.576(3) Na2 Sr1 2_655 4.450(2) Na3 O28 . 2.340(6) Na3 O6 3_666 2.366(4) Na3 O29 . 2.419(5) Na3 O30 . 2.424(5) Na3 O31 . 2.550(6) Na3 O18 . 2.636(5) O4 W6 3_656 1.868(3) O6 Na3 3_666 2.366(4) O11 W4 3_656 1.918(3) O12 Sr1 2_655 2.633(3) O15 Na1 3_756 2.337(4) O16 W5 3_656 2.195(3) O17 Na1 3_656 2.795(4) O19 Sr1 2_655 2.604(4) O21 Na2 2_645 2.323(4) O21 Na1 3_756 2.537(4) O25 Na2 2_645 2.493(5) O26 Na2 4_666 2.375(4)