data_final _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H5 B5 Ca0.17 K0.15 Na1.85 O15 S Sr0.82' _chemical_formula_weight 458.85 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'B' 'B' 0.0013 0.0007 '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' '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' 'S' 'S' 0.1246 0.1234 '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' 'K' 'K' 0.2009 0.2494 '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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 6.458(2) _cell_length_b 22.299(7) _cell_length_c 8.571(2) _cell_angle_alpha 90.00 _cell_angle_beta 103.047(13) _cell_angle_gamma 90.00 _cell_volume 1202.4(6) _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 2.535 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 896 _exptl_absorpt_coefficient_mu 4.173 _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 13879 _diffrn_reflns_av_R_equivalents 0.0180 _diffrn_reflns_av_sigmaI/netI 0.0140 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 9 _diffrn_reflns_limit_k_min -31 _diffrn_reflns_limit_k_max 31 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.60 _diffrn_reflns_theta_max 30.10 _reflns_number_total 3531 _reflns_number_gt 3299 _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^)+(0.0264P)^2^+2.6518P] 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 3531 _refine_ls_number_parameters 223 _refine_ls_number_restraints 1 _refine_ls_R_factor_all 0.0318 _refine_ls_R_factor_gt 0.0293 _refine_ls_wR_factor_ref 0.0711 _refine_ls_wR_factor_gt 0.0701 _refine_ls_goodness_of_fit_ref 1.098 _refine_ls_restrained_S_all 1.097 _refine_ls_shift/su_max 0.001 _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 K1 K 0.93117(19) 0.35709(6) 0.67727(16) 0.0409(4) Uani 0.144(4) 1 d P . . Na1 Na 0.93117(19) 0.35709(6) 0.67727(16) 0.0409(4) Uani 0.86 1 d P . . Na2 Na 0.0660(2) 0.45901(7) 0.3407(3) 0.0623(6) Uani 1 1 d . . . Sr Sr 0.45961(3) 0.264505(10) 0.98574(2) 0.01195(7) Uani 0.8223(19) 1 d P . . Ca Ca 0.45961(3) 0.264505(10) 0.98574(2) 0.01195(7) Uani 0.18 1 d P . . S S 0.43885(9) 0.36146(2) 0.70433(6) 0.01702(13) Uani 1 1 d . . . B1 B 0.7146(3) 0.33219(10) 0.3047(3) 0.0110(4) Uani 1 1 d . . . B2 B 0.0099(3) 0.30970(10) 0.1724(3) 0.0103(4) Uani 1 1 d . . . B3 B 0.9768(4) 0.25430(10) 0.4174(3) 0.0110(4) Uani 1 1 d . . . B4 B 0.3405(4) 0.37153(10) 0.2606(3) 0.0121(4) Uani 1 1 d . . . B5 B 0.6325(4) 0.43729(11) 0.3636(3) 0.0141(4) Uani 1 1 d . . . O1 O 0.3673(3) 0.36822(9) 0.8550(2) 0.0250(4) Uani 1 1 d . . . O2 O 0.5585(3) 0.41411(8) 0.6730(2) 0.0237(4) Uani 1 1 d . . . O3 O 0.5833(4) 0.30829(9) 0.7246(3) 0.0336(5) Uani 1 1 d . . . O4 O 0.2597(4) 0.34965(13) 0.5701(3) 0.0479(7) Uani 1 1 d . . . O5 O 0.7844(2) 0.32171(7) 0.15740(17) 0.0114(3) Uani 1 1 d . . . O6 O 0.7736(2) 0.39189(7) 0.37577(18) 0.0137(3) Uani 1 1 d . . . O7 O 0.8020(2) 0.28732(7) 0.43028(17) 0.0122(3) Uani 1 1 d . . . O8 O 0.4787(2) 0.32425(7) 0.26631(18) 0.0125(3) Uani 1 1 d . . . O9 O 0.0627(2) 0.28922(7) 0.02386(17) 0.0132(3) Uani 1 1 d . . . O10 O 0.1284(2) 0.36620(7) 0.21618(18) 0.0120(3) Uani 1 1 d . . . O11 O 0.0812(2) 0.26271(7) 0.29630(18) 0.0129(3) Uani 1 1 d . . . O12 O 0.4179(2) 0.42923(7) 0.3012(2) 0.0159(3) Uani 1 1 d . . . OH O 0.7118(3) 0.49302(7) 0.4120(2) 0.0196(3) Uani 1 1 d D . . W1 O 0.9942(4) 0.45016(17) 0.8128(4) 0.0651(9) Uani 1 1 d . . . W2 O 0.7322(4) 0.44312(12) 0.0357(3) 0.0448(6) Uani 1 1 d . . . H1 H 0.614(7) 0.5270(16) 0.387(7) 0.11(2) 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 K1 0.0333(7) 0.0403(7) 0.0546(8) 0.0062(5) 0.0212(5) 0.0008(5) Na1 0.0333(7) 0.0403(7) 0.0546(8) 0.0062(5) 0.0212(5) 0.0008(5) Na2 0.0339(7) 0.0457(8) 0.1200(15) -0.0490(9) 0.0443(9) -0.0173(6) Sr 0.00997(10) 0.01421(11) 0.01157(10) -0.00080(7) 0.00221(7) 0.00018(7) Ca 0.00997(10) 0.01421(11) 0.01157(10) -0.00080(7) 0.00221(7) 0.00018(7) S 0.0204(3) 0.0159(2) 0.0141(2) 0.00052(18) 0.00258(19) -0.00349(19) B1 0.0076(9) 0.0125(9) 0.0131(9) -0.0004(7) 0.0029(7) 0.0005(7) B2 0.0089(9) 0.0128(9) 0.0090(9) -0.0003(7) 0.0018(7) 0.0000(7) B3 0.0096(9) 0.0128(9) 0.0107(9) -0.0002(7) 0.0025(7) -0.0004(7) B4 0.0110(9) 0.0132(10) 0.0122(9) -0.0012(8) 0.0031(7) -0.0009(8) B5 0.0123(10) 0.0136(10) 0.0167(10) -0.0002(8) 0.0036(8) -0.0011(8) O1 0.0302(10) 0.0264(9) 0.0211(8) 0.0023(7) 0.0116(7) 0.0058(7) O2 0.0213(8) 0.0180(8) 0.0313(9) 0.0050(7) 0.0048(7) -0.0032(6) O3 0.0571(14) 0.0180(8) 0.0325(10) 0.0031(7) 0.0247(10) 0.0091(9) O4 0.0403(13) 0.0730(18) 0.0233(10) 0.0074(10) -0.0076(9) -0.0332(12) O5 0.0086(6) 0.0144(7) 0.0111(6) 0.0002(5) 0.0024(5) 0.0004(5) O6 0.0098(6) 0.0132(7) 0.0177(7) -0.0031(5) 0.0026(5) -0.0004(5) O7 0.0110(7) 0.0143(7) 0.0123(6) 0.0014(5) 0.0047(5) 0.0028(5) O8 0.0081(6) 0.0119(6) 0.0176(7) -0.0019(5) 0.0031(5) 0.0000(5) O9 0.0132(7) 0.0159(7) 0.0116(6) -0.0031(5) 0.0048(5) -0.0032(5) O10 0.0082(6) 0.0124(7) 0.0150(7) -0.0020(5) 0.0016(5) -0.0002(5) O11 0.0115(7) 0.0160(7) 0.0127(7) 0.0037(5) 0.0056(5) 0.0040(5) O12 0.0095(7) 0.0119(7) 0.0250(8) -0.0022(6) 0.0010(6) 0.0006(5) OH 0.0144(7) 0.0129(7) 0.0309(9) -0.0038(6) 0.0034(6) -0.0023(6) W1 0.0317(13) 0.109(3) 0.0557(17) -0.0163(17) 0.0111(12) -0.0134(15) W2 0.0551(15) 0.0433(13) 0.0346(12) 0.0003(10) 0.0070(11) -0.0127(11) _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 K1 W1 2.368(4) . ? K1 O4 2.501(3) 1_655 ? K1 O7 2.608(2) . ? K1 O3 2.609(3) . ? K1 O6 2.670(2) . ? K1 O2 2.715(2) . ? K1 O1 2.895(3) 1_655 ? K1 O11 2.945(2) 4_666 ? K1 B3 3.197(3) 4_566 ? K1 B1 3.232(3) . ? K1 S 3.2356(16) 1_655 ? K1 S 3.2411(16) . ? Na2 W1 2.399(4) 3_666 ? Na2 O10 2.404(2) . ? Na2 O12 2.463(2) . ? Na2 O6 2.481(2) 1_455 ? Na2 OH 2.515(3) 3_666 ? Na2 OH 2.610(2) 1_455 ? Na2 B4 2.823(3) . ? Na2 B5 2.891(3) 1_455 ? Na2 W2 3.010(3) 1_455 ? Na2 Na2 3.547(3) 3_566 ? Na2 K1 3.922(2) 1_455 ? Na2 Na1 3.922(2) 1_455 ? Na2 K1 4.104(2) 3_666 ? Na2 Na1 4.104(2) 3_666 ? Sr O1 2.580(2) . ? Sr O3 2.594(2) 4_566 ? Sr O5 2.6072(16) 1_556 ? Sr O7 2.6316(16) 4_566 ? Sr O11 2.6805(17) 4_566 ? Sr O9 2.7128(17) 1_556 ? Sr O3 2.722(2) . ? Sr O8 2.7274(16) 1_556 ? Sr O8 2.7523(16) 4_566 ? Sr O4 3.015(3) 4_566 ? Sr B3 3.069(2) 4_466 ? Sr S 3.2192(8) . ? Sr B1 3.230(2) 1_556 ? Sr B1 3.304(2) 4_566 ? Sr S 3.3957(10) 4_566 ? Sr B3 3.544(2) 4_566 ? Sr B4 3.558(2) 1_556 ? Sr B4 3.584(2) 4_566 ? Sr Na1 4.1309(16) 4_566 ? Sr K1 4.1309(16) 4_566 ? S O4 1.460(2) . ? S O2 1.4635(18) . ? S O1 1.4744(18) . ? S O3 1.494(2) . ? S Na1 3.2356(16) 1_455 ? S K1 3.2356(16) 1_455 ? S Ca 3.3957(10) 4_565 ? S Sr 3.3957(10) 4_565 ? B1 O5 1.452(3) . ? B1 O6 1.478(3) . ? B1 O7 1.484(3) . ? B1 O8 1.494(3) . ? B1 Ca 3.230(2) 1_554 ? B1 Sr 3.230(2) 1_554 ? B1 Sr 3.304(2) 4_565 ? B2 O5 1.458(3) 1_455 ? B2 O9 1.463(3) . ? B2 O10 1.478(3) . ? B2 O11 1.489(3) . ? B3 O9 1.362(3) 4_666 ? B3 O11 1.372(3) 1_655 ? B3 O7 1.373(3) . ? B3 Ca 3.069(2) 4_665 ? B3 Sr 3.069(2) 4_665 ? B3 K1 3.197(3) 4_565 ? B3 Na1 3.197(3) 4_565 ? B3 Sr 3.544(2) 4_565 ? B4 O10 1.342(3) . ? B4 O8 1.375(3) . ? B4 O12 1.396(3) . ? B4 Sr 3.558(2) 1_554 ? B4 Sr 3.584(2) 4_565 ? B5 O6 1.350(3) . ? B5 OH 1.372(3) . ? B5 O12 1.380(3) . ? B5 Na2 2.891(3) 1_655 ? O1 Na1 2.895(2) 1_455 ? O1 K1 2.895(2) 1_455 ? O3 Ca 2.594(2) 4_565 ? O3 Sr 2.594(2) 4_565 ? O4 Na1 2.501(3) 1_455 ? O4 K1 2.501(3) 1_455 ? O4 Ca 3.015(3) 4_565 ? O4 Sr 3.015(3) 4_565 ? O5 B2 1.458(3) 1_655 ? O5 Sr 2.6072(16) 1_554 ? O5 Ca 2.6072(16) 1_554 ? O6 Na2 2.481(2) 1_655 ? O7 Ca 2.6316(16) 4_565 ? O7 Sr 2.6316(16) 4_565 ? O8 Ca 2.7274(16) 1_554 ? O8 Sr 2.7274(16) 1_554 ? O8 Ca 2.7523(16) 4_565 ? O8 Sr 2.7523(16) 4_565 ? O9 B3 1.362(3) 4_465 ? O9 Ca 2.7128(17) 1_554 ? O9 Sr 2.7128(17) 1_554 ? O9 K1 3.271(2) 1_454 ? O11 B3 1.372(3) 1_455 ? O11 Ca 2.6805(17) 4_565 ? O11 Sr 2.6805(17) 4_565 ? O11 K1 2.945(2) 4_465 ? O11 Na1 2.945(2) 4_465 ? OH Na2 2.515(3) 3_666 ? OH Na2 2.610(2) 1_655 ? OH H1 0.9800(11) . ? W1 Na2 2.399(4) 3_666 ? W2 Na2 3.010(3) 1_655 ? 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 W1 K1 O4 99.92(10) . 1_655 ? W1 K1 O7 155.38(11) . . ? O4 K1 O7 78.73(7) 1_655 . ? W1 K1 O3 110.36(9) . . ? O4 K1 O3 149.45(9) 1_655 . ? O7 K1 O3 75.44(7) . . ? W1 K1 O6 101.88(10) . . ? O4 K1 O6 80.40(7) 1_655 . ? O7 K1 O6 53.52(6) . . ? O3 K1 O6 96.80(7) . . ? W1 K1 O2 69.50(9) . . ? O4 K1 O2 148.13(9) 1_655 . ? O7 K1 O2 98.54(7) . . ? O3 K1 O2 53.54(6) . . ? O6 K1 O2 73.02(6) . . ? W1 K1 O1 68.14(9) . 1_655 ? O4 K1 O1 52.67(7) 1_655 1_655 ? O7 K1 O1 124.98(7) . 1_655 ? O3 K1 O1 136.35(8) . 1_655 ? O6 K1 O1 126.69(6) . 1_655 ? O2 K1 O1 136.15(8) . 1_655 ? W1 K1 O11 128.20(10) . 4_666 ? O4 K1 O11 80.04(8) 1_655 4_666 ? O7 K1 O11 76.11(6) . 4_666 ? O3 K1 O11 78.18(6) . 4_666 ? O6 K1 O11 128.52(6) . 4_666 ? O2 K1 O11 130.61(6) . 4_666 ? O1 K1 O11 71.96(6) 1_655 4_666 ? W1 K1 B3 112.61(11) . 4_566 ? O4 K1 B3 102.86(8) 1_655 4_566 ? O7 K1 B3 91.44(7) . 4_566 ? O3 K1 B3 62.17(7) . 4_566 ? O6 K1 B3 143.95(7) . 4_566 ? O2 K1 B3 108.97(7) . 4_566 ? O1 K1 B3 77.91(6) 1_655 4_566 ? O11 K1 B3 25.40(5) 4_666 4_566 ? W1 K1 B1 128.56(11) . . ? O4 K1 B1 80.76(7) 1_655 . ? O7 K1 B1 26.83(5) . . ? O3 K1 B1 83.47(7) . . ? O6 K1 B1 26.91(5) . . ? O2 K1 B1 83.26(7) . . ? O1 K1 B1 133.43(7) 1_655 . ? O11 K1 B1 102.80(6) 4_666 . ? B3 K1 B1 117.32(7) 4_566 . ? W1 K1 S 83.07(8) . 1_655 ? O4 K1 S 25.62(5) 1_655 1_655 ? O7 K1 S 102.08(5) . 1_655 ? O3 K1 S 153.57(7) . 1_655 ? O6 K1 S 102.67(5) . 1_655 ? O2 K1 S 150.19(6) . 1_655 ? O1 K1 S 27.11(4) 1_655 1_655 ? O11 K1 S 75.73(4) 4_666 1_655 ? B3 K1 S 91.87(5) 4_566 1_655 ? B1 K1 S 106.36(5) . 1_655 ? W1 K1 S 90.08(8) . . ? O4 K1 S 162.87(7) 1_655 . ? O7 K1 S 86.38(5) . . ? O3 K1 S 26.93(5) . . ? O6 K1 S 83.96(5) . . ? O2 K1 S 26.62(4) . . ? O1 K1 S 144.44(6) 1_655 . ? O11 K1 S 104.70(5) 4_666 . ? B3 K1 S 85.79(5) 4_566 . ? B1 K1 S 82.13(5) . . ? S K1 S 171.29(5) 1_655 . ? W1 Na2 O10 120.41(12) 3_666 . ? W1 Na2 O12 101.10(10) 3_666 . ? O10 Na2 O12 56.95(6) . . ? W1 Na2 O6 122.85(10) 3_666 1_455 ? O10 Na2 O6 75.10(7) . 1_455 ? O12 Na2 O6 127.25(8) . 1_455 ? W1 Na2 OH 95.40(10) 3_666 3_666 ? O10 Na2 OH 128.29(10) . 3_666 ? O12 Na2 OH 82.08(7) . 3_666 ? O6 Na2 OH 117.35(10) 1_455 3_666 ? W1 Na2 OH 80.85(9) 3_666 1_455 ? O10 Na2 OH 126.71(7) . 1_455 ? O12 Na2 OH 174.30(10) . 1_455 ? O6 Na2 OH 54.23(6) 1_455 1_455 ? OH Na2 OH 92.43(7) 3_666 1_455 ? W1 Na2 B4 118.89(11) 3_666 . ? O10 Na2 B4 28.32(6) . . ? O12 Na2 B4 29.63(6) . . ? O6 Na2 B4 98.60(8) 1_455 . ? OH Na2 B4 103.23(9) 3_666 . ? OH Na2 B4 152.80(8) 1_455 . ? W1 Na2 B5 97.99(10) 3_666 1_455 ? O10 Na2 B5 98.50(7) . 1_455 ? O12 Na2 B5 154.39(8) . 1_455 ? O6 Na2 B5 27.79(6) 1_455 1_455 ? OH Na2 B5 113.01(9) 3_666 1_455 ? OH Na2 B5 28.30(6) 1_455 1_455 ? B4 Na2 B5 124.86(8) . 1_455 ? W1 Na2 W2 68.13(10) 3_666 1_455 ? O10 Na2 W2 70.86(8) . 1_455 ? O12 Na2 W2 110.54(9) . 1_455 ? O6 Na2 W2 67.59(7) 1_455 1_455 ? OH Na2 W2 160.49(9) 3_666 1_455 ? OH Na2 W2 75.16(8) 1_455 1_455 ? B4 Na2 W2 94.21(9) . 1_455 ? B5 Na2 W2 61.61(8) 1_455 1_455 ? W1 Na2 Na2 87.12(10) 3_666 3_566 ? O10 Na2 Na2 151.54(12) . 3_566 ? O12 Na2 Na2 129.38(10) . 3_566 ? O6 Na2 Na2 84.01(7) 1_455 3_566 ? OH Na2 Na2 47.32(6) 3_666 3_566 ? OH Na2 Na2 45.11(5) 1_455 3_566 ? B4 Na2 Na2 144.76(12) . 3_566 ? B5 Na2 Na2 68.24(6) 1_455 3_566 ? W2 Na2 Na2 118.67(9) 1_455 3_566 ? W1 Na2 K1 149.02(9) 3_666 1_455 ? O10 Na2 K1 85.12(7) . 1_455 ? O12 Na2 K1 108.05(8) . 1_455 ? O6 Na2 K1 42.24(5) 1_455 1_455 ? OH Na2 K1 78.79(7) 3_666 1_455 ? OH Na2 K1 69.16(6) 1_455 1_455 ? B4 Na2 K1 91.96(7) . 1_455 ? B5 Na2 K1 58.25(6) 1_455 1_455 ? W2 Na2 K1 109.64(7) 1_455 1_455 ? Na2 Na2 K1 66.44(7) 3_566 1_455 ? W1 Na2 Na1 149.02(9) 3_666 1_455 ? O10 Na2 Na1 85.12(7) . 1_455 ? O12 Na2 Na1 108.05(8) . 1_455 ? O6 Na2 Na1 42.24(5) 1_455 1_455 ? OH Na2 Na1 78.79(7) 3_666 1_455 ? OH Na2 Na1 69.16(6) 1_455 1_455 ? B4 Na2 Na1 91.96(7) . 1_455 ? B5 Na2 Na1 58.25(6) 1_455 1_455 ? W2 Na2 Na1 109.64(7) 1_455 1_455 ? Na2 Na2 Na1 66.44(7) 3_566 1_455 ? K1 Na2 Na1 0.00(4) 1_455 1_455 ? W1 Na2 K1 30.37(8) 3_666 3_666 ? O10 Na2 K1 147.25(8) . 3_666 ? O12 Na2 K1 104.60(6) . 3_666 ? O6 Na2 K1 128.13(6) 1_455 3_666 ? OH Na2 K1 66.42(5) 3_666 3_666 ? OH Na2 K1 74.33(5) 1_455 3_666 ? B4 Na2 K1 132.31(7) . 3_666 ? B5 Na2 K1 100.52(6) 1_455 3_666 ? W2 Na2 K1 95.36(7) 1_455 3_666 ? Na2 Na2 K1 61.16(5) 3_566 3_666 ? K1 Na2 K1 127.61(4) 1_455 3_666 ? Na1 Na2 K1 127.61(4) 1_455 3_666 ? W1 Na2 Na1 30.37(8) 3_666 3_666 ? O10 Na2 Na1 147.25(8) . 3_666 ? O12 Na2 Na1 104.60(6) . 3_666 ? O6 Na2 Na1 128.13(6) 1_455 3_666 ? OH Na2 Na1 66.42(5) 3_666 3_666 ? OH Na2 Na1 74.33(5) 1_455 3_666 ? B4 Na2 Na1 132.31(7) . 3_666 ? B5 Na2 Na1 100.52(6) 1_455 3_666 ? W2 Na2 Na1 95.36(7) 1_455 3_666 ? Na2 Na2 Na1 61.16(5) 3_566 3_666 ? K1 Na2 Na1 127.61(4) 1_455 3_666 ? Na1 Na2 Na1 127.61(4) 1_455 3_666 ? K1 Na2 Na1 0.000(1) 3_666 3_666 ? O1 Sr O3 154.63(6) . 4_566 ? O1 Sr O5 83.34(6) . 1_556 ? O3 Sr O5 78.20(6) 4_566 1_556 ? O1 Sr O7 115.87(5) . 4_566 ? O3 Sr O7 75.29(6) 4_566 4_566 ? O5 Sr O7 73.45(5) 1_556 4_566 ? O1 Sr O11 81.39(6) . 4_566 ? O3 Sr O11 114.38(6) 4_566 4_566 ? O5 Sr O11 163.71(5) 1_556 4_566 ? O7 Sr O11 118.65(5) 4_566 4_566 ? O1 Sr O9 74.83(5) . 1_556 ? O3 Sr O9 99.39(6) 4_566 1_556 ? O5 Sr O9 119.62(5) 1_556 1_556 ? O7 Sr O9 165.08(5) 4_566 1_556 ? O11 Sr O9 50.35(5) 4_566 1_556 ? O1 Sr O3 53.37(6) . . ? O3 Sr O3 141.11(9) 4_566 . ? O5 Sr O3 86.58(6) 1_556 . ? O7 Sr O3 66.07(6) 4_566 . ? O11 Sr O3 88.85(6) 4_566 . ? O9 Sr O3 119.14(6) 1_556 . ? O1 Sr O8 84.55(5) . 1_556 ? O3 Sr O8 70.44(6) 4_566 1_556 ? O5 Sr O8 52.62(5) 1_556 1_556 ? O7 Sr O8 120.07(5) 4_566 1_556 ? O11 Sr O8 119.89(5) 4_566 1_556 ? O9 Sr O8 69.55(5) 1_556 1_556 ? O3 Sr O8 125.90(6) . 1_556 ? O1 Sr O8 112.92(5) . 4_566 ? O3 Sr O8 92.07(6) 4_566 4_566 ? O5 Sr O8 125.66(5) 1_556 4_566 ? O7 Sr O8 52.53(5) 4_566 4_566 ? O11 Sr O8 66.34(5) 4_566 4_566 ? O9 Sr O8 114.70(5) 1_556 4_566 ? O3 Sr O8 68.24(6) . 4_566 ? O8 Sr O8 162.50(4) 1_556 4_566 ? O1 Sr O4 142.32(6) . 4_566 ? O3 Sr O4 49.81(6) 4_566 4_566 ? O5 Sr O4 127.68(5) 1_556 4_566 ? O7 Sr O4 95.47(6) 4_566 4_566 ? O11 Sr O4 64.72(5) 4_566 4_566 ? O9 Sr O4 71.05(6) 1_556 4_566 ? O3 Sr O4 136.14(6) . 4_566 ? O8 Sr O4 97.92(6) 1_556 4_566 ? O8 Sr O4 69.17(6) 4_566 4_566 ? O1 Sr B3 85.09(6) . 4_466 ? O3 Sr B3 100.60(7) 4_566 4_466 ? O5 Sr B3 145.88(5) 1_556 4_466 ? O7 Sr B3 139.86(6) 4_566 4_466 ? O11 Sr B3 26.53(5) 4_566 4_466 ? O9 Sr B3 26.33(5) 1_556 4_466 ? O3 Sr B3 111.49(7) . 4_466 ? O8 Sr B3 94.41(5) 1_556 4_466 ? O8 Sr B3 88.38(5) 4_566 4_466 ? O4 Sr B3 57.23(6) 4_566 4_466 ? O1 Sr S 26.65(4) . . ? O3 Sr S 164.81(5) 4_566 . ? O5 Sr S 89.22(4) 1_556 . ? O7 Sr S 93.10(4) 4_566 . ? O11 Sr S 79.64(4) 4_566 . ? O9 Sr S 94.19(4) 1_556 . ? O3 Sr S 27.54(4) . . ? O8 Sr S 108.57(4) 1_556 . ? O8 Sr S 88.37(4) 4_566 . ? O4 Sr S 143.03(4) 4_566 . ? B3 Sr S 94.59(5) 4_466 . ? O1 Sr B1 88.42(6) . 1_556 ? O3 Sr B1 67.47(6) 4_566 1_556 ? O5 Sr B1 26.14(5) 1_556 1_556 ? O7 Sr B1 93.99(5) 4_566 1_556 ? O11 Sr B1 147.08(5) 4_566 1_556 ? O9 Sr B1 96.78(5) 1_556 1_556 ? O3 Sr B1 109.89(7) . 1_556 ? O8 Sr B1 27.42(5) 1_556 1_556 ? O8 Sr B1 145.24(5) 4_566 1_556 ? O4 Sr B1 110.83(6) 4_566 1_556 ? B3 Sr B1 121.82(6) 4_466 1_556 ? S Sr B1 104.33(5) . 1_556 ? O1 Sr B1 118.14(6) . 4_566 ? O3 Sr B1 82.24(6) 4_566 4_566 ? O5 Sr B1 99.30(5) 1_556 4_566 ? O7 Sr B1 25.93(5) 4_566 4_566 ? O11 Sr B1 92.90(5) 4_566 4_566 ? O9 Sr B1 140.68(5) 1_556 4_566 ? O3 Sr B1 65.05(6) . 4_566 ? O8 Sr B1 143.56(5) 1_556 4_566 ? O8 Sr B1 26.61(5) 4_566 4_566 ? O4 Sr B1 81.22(6) 4_566 4_566 ? B3 Sr B1 114.44(6) 4_466 4_566 ? S Sr B1 91.57(5) . 4_566 ? B1 Sr B1 119.31(7) 1_556 4_566 ? O1 Sr S 161.26(4) . 4_566 ? O3 Sr S 24.53(5) 4_566 4_566 ? O5 Sr S 102.73(4) 1_556 4_566 ? O7 Sr S 82.87(4) 4_566 4_566 ? O11 Sr S 90.16(4) 4_566 4_566 ? O9 Sr S 86.88(4) 1_556 4_566 ? O3 Sr S 143.70(4) . 4_566 ? O8 Sr S 85.25(4) 1_556 4_566 ? O8 Sr S 78.21(4) 4_566 4_566 ? O4 Sr S 25.44(4) 4_566 4_566 ? B3 Sr S 80.06(4) 4_466 4_566 ? S Sr S 165.631(17) . 4_566 ? B1 Sr S 89.74(5) 1_556 4_566 ? B1 Sr S 78.77(4) 4_566 4_566 ? O1 Sr B3 99.68(6) . 4_566 ? O3 Sr B3 85.56(6) 4_566 4_566 ? O5 Sr B3 58.88(5) 1_556 4_566 ? O7 Sr B3 19.34(5) 4_566 4_566 ? O11 Sr B3 129.60(5) 4_566 4_566 ? O9 Sr B3 174.51(5) 1_556 4_566 ? O3 Sr B3 56.21(6) . 4_566 ? O8 Sr B3 110.29(5) 1_556 4_566 ? O8 Sr B3 67.20(5) 4_566 4_566 ? O4 Sr B3 114.22(6) 4_566 4_566 ? B3 Sr B3 155.12(8) 4_466 4_566 ? S Sr B3 80.62(4) . 4_566 ? B1 Sr B3 82.87(6) 1_556 4_566 ? B1 Sr B3 42.02(5) 4_566 4_566 ? S Sr B3 98.59(4) 4_566 4_566 ? O1 Sr B4 67.85(6) . 1_556 ? O3 Sr B4 88.35(6) 4_566 1_556 ? O5 Sr B4 64.20(5) 1_556 1_556 ? O7 Sr B4 136.91(5) 4_566 1_556 ? O11 Sr B4 104.43(5) 4_566 1_556 ? O9 Sr B4 55.42(5) 1_556 1_556 ? O3 Sr B4 116.83(6) . 1_556 ? O8 Sr B4 20.27(5) 1_556 1_556 ? O8 Sr B4 169.98(5) 4_566 1_556 ? O4 Sr B4 103.85(6) 4_566 1_556 ? B3 Sr B4 81.71(6) 4_466 1_556 ? S Sr B4 93.84(4) . 1_556 ? B1 Sr B4 43.20(6) 1_556 1_556 ? B1 Sr B4 162.51(5) 4_566 1_556 ? S Sr B4 98.52(4) 4_566 1_556 ? B3 Sr B4 122.80(5) 4_566 1_556 ? O1 Sr B4 121.63(6) . 4_566 ? O3 Sr B4 83.44(6) 4_566 4_566 ? O5 Sr B4 139.95(5) 1_556 4_566 ? O7 Sr B4 67.55(5) 4_566 4_566 ? O11 Sr B4 55.02(5) 4_566 4_566 ? O9 Sr B4 98.22(5) 1_556 4_566 ? O3 Sr B4 85.88(6) . 4_566 ? O8 Sr B4 148.17(5) 1_556 4_566 ? O8 Sr B4 20.08(5) 4_566 4_566 ? O4 Sr B4 50.43(6) 4_566 4_566 ? B3 Sr B4 72.31(6) 4_466 4_566 ? S Sr B4 101.39(4) . 4_566 ? B1 Sr B4 149.05(5) 1_556 4_566 ? B1 Sr B4 42.62(6) 4_566 4_566 ? S Sr B4 64.31(4) 4_566 4_566 ? B3 Sr B4 84.64(5) 4_566 4_566 ? B4 Sr B4 150.70(7) 1_556 4_566 ? O1 Sr Na1 146.95(5) . 4_566 ? O3 Sr Na1 37.57(5) 4_566 4_566 ? O5 Sr Na1 70.73(4) 1_556 4_566 ? O7 Sr Na1 37.76(4) 4_566 4_566 ? O11 Sr Na1 125.56(4) 4_566 4_566 ? O9 Sr Na1 135.84(4) 1_556 4_566 ? O3 Sr Na1 103.61(5) . 4_566 ? O8 Sr Na1 95.03(4) 1_556 4_566 ? O8 Sr Na1 69.92(4) 4_566 4_566 ? O4 Sr Na1 70.59(5) 4_566 4_566 ? B3 Sr Na1 127.76(5) 4_466 4_566 ? S Sr Na1 129.85(2) . 4_566 ? B1 Sr Na1 77.36(5) 1_556 4_566 ? B1 Sr Na1 50.02(5) 4_566 4_566 ? S Sr Na1 49.85(2) 4_566 4_566 ? B3 Sr Na1 49.48(4) 4_566 4_566 ? B4 Sr Na1 115.30(4) 1_556 4_566 ? B4 Sr Na1 73.01(5) 4_566 4_566 ? O1 Sr K1 146.95(5) . 4_566 ? O3 Sr K1 37.57(5) 4_566 4_566 ? O5 Sr K1 70.73(4) 1_556 4_566 ? O7 Sr K1 37.76(4) 4_566 4_566 ? O11 Sr K1 125.56(4) 4_566 4_566 ? O9 Sr K1 135.84(4) 1_556 4_566 ? O3 Sr K1 103.61(5) . 4_566 ? O8 Sr K1 95.03(4) 1_556 4_566 ? O8 Sr K1 69.92(4) 4_566 4_566 ? O4 Sr K1 70.59(5) 4_566 4_566 ? B3 Sr K1 127.76(5) 4_466 4_566 ? S Sr K1 129.85(2) . 4_566 ? B1 Sr K1 77.36(5) 1_556 4_566 ? B1 Sr K1 50.02(5) 4_566 4_566 ? S Sr K1 49.85(2) 4_566 4_566 ? B3 Sr K1 49.48(4) 4_566 4_566 ? B4 Sr K1 115.30(4) 1_556 4_566 ? B4 Sr K1 73.01(5) 4_566 4_566 ? Na1 Sr K1 0.00(3) 4_566 4_566 ? O4 S O2 110.95(12) . . ? O4 S O1 111.10(14) . . ? O2 S O1 111.18(11) . . ? O4 S O3 108.16(16) . . ? O2 S O3 108.43(12) . . ? O1 S O3 106.85(11) . . ? O4 S Sr 111.17(10) . . ? O2 S Sr 137.88(8) . . ? O1 S Sr 51.73(8) . . ? O3 S Sr 57.36(8) . . ? O4 S Na1 47.80(11) . 1_455 ? O2 S Na1 125.42(8) . 1_455 ? O1 S Na1 63.46(9) . 1_455 ? O3 S Na1 125.48(10) . 1_455 ? Sr S Na1 84.47(3) . 1_455 ? O4 S K1 47.80(11) . 1_455 ? O2 S K1 125.42(8) . 1_455 ? O1 S K1 63.46(9) . 1_455 ? O3 S K1 125.48(10) . 1_455 ? Sr S K1 84.47(3) . 1_455 ? Na1 S K1 0.00(4) 1_455 1_455 ? O4 S K1 123.63(12) . . ? O2 S K1 56.20(8) . . ? O1 S K1 124.90(9) . . ? O3 S K1 52.24(9) . . ? Sr S K1 99.08(3) . . ? Na1 S K1 171.29(5) 1_455 . ? K1 S K1 171.29(5) 1_455 . ? O4 S Ca 62.54(13) . 4_565 ? O2 S Ca 118.31(8) . 4_565 ? O1 S Ca 128.84(8) . 4_565 ? O3 S Ca 46.11(9) . 4_565 ? Sr S Ca 81.82(3) . 4_565 ? Na1 S Ca 95.81(3) 1_455 4_565 ? K1 S Ca 95.81(3) 1_455 4_565 ? K1 S Ca 76.95(3) . 4_565 ? O4 S Sr 62.54(13) . 4_565 ? O2 S Sr 118.31(8) . 4_565 ? O1 S Sr 128.84(8) . 4_565 ? O3 S Sr 46.11(9) . 4_565 ? Sr S Sr 81.82(3) . 4_565 ? Na1 S Sr 95.81(3) 1_455 4_565 ? K1 S Sr 95.81(3) 1_455 4_565 ? K1 S Sr 76.95(3) . 4_565 ? Ca S Sr 0.000(4) 4_565 4_565 ? O5 B1 O6 113.65(17) . . ? O5 B1 O7 112.33(17) . . ? O6 B1 O7 106.74(16) . . ? O5 B1 O8 106.87(16) . . ? O6 B1 O8 110.66(16) . . ? O7 B1 O8 106.39(16) . . ? O5 B1 Ca 52.25(9) . 1_554 ? O6 B1 Ca 143.57(14) . 1_554 ? O7 B1 Ca 109.66(13) . 1_554 ? O8 B1 Ca 57.22(9) . 1_554 ? O5 B1 Sr 52.25(9) . 1_554 ? O6 B1 Sr 143.57(14) . 1_554 ? O7 B1 Sr 109.66(13) . 1_554 ? O8 B1 Sr 57.22(9) . 1_554 ? Ca B1 Sr 0.000(10) 1_554 1_554 ? O5 B1 K1 137.44(13) . . ? O6 B1 K1 54.85(10) . . ? O7 B1 K1 52.46(10) . . ? O8 B1 K1 115.50(13) . . ? Ca B1 K1 160.21(8) 1_554 . ? Sr B1 K1 160.21(8) 1_554 . ? O5 B1 Sr 126.06(13) . 4_565 ? O6 B1 Sr 120.26(13) . 4_565 ? O7 B1 Sr 50.82(9) . 4_565 ? O8 B1 Sr 55.61(9) . 4_565 ? Ca B1 Sr 83.09(6) 1_554 4_565 ? Sr B1 Sr 83.09(6) 1_554 4_565 ? K1 B1 Sr 78.39(6) . 4_565 ? O5 B2 O9 113.91(16) 1_455 . ? O5 B2 O10 108.37(16) 1_455 . ? O9 B2 O10 106.15(16) . . ? O5 B2 O11 109.51(16) 1_455 . ? O9 B2 O11 107.81(17) . . ? O10 B2 O11 111.07(16) . . ? O9 B3 O11 114.12(18) 4_666 1_655 ? O9 B3 O7 123.12(19) 4_666 . ? O11 B3 O7 122.76(19) 1_655 . ? O9 B3 Ca 62.08(11) 4_666 4_665 ? O11 B3 Ca 60.75(10) 1_655 4_665 ? O7 B3 Ca 151.21(15) . 4_665 ? O9 B3 Sr 62.08(11) 4_666 4_665 ? O11 B3 Sr 60.75(10) 1_655 4_665 ? O7 B3 Sr 151.21(15) . 4_665 ? Ca B3 Sr 0.000(8) 4_665 4_665 ? O9 B3 K1 80.91(12) 4_666 4_565 ? O11 B3 K1 66.98(11) 1_655 4_565 ? O7 B3 K1 120.71(14) . 4_565 ? Ca B3 K1 87.63(6) 4_665 4_565 ? Sr B3 K1 87.63(6) 4_665 4_565 ? O9 B3 Na1 80.91(12) 4_666 4_565 ? O11 B3 Na1 66.98(11) 1_655 4_565 ? O7 B3 Na1 120.71(14) . 4_565 ? Ca B3 Na1 87.63(6) 4_665 4_565 ? Sr B3 Na1 87.63(6) 4_665 4_565 ? K1 B3 Na1 0.00(3) 4_565 4_565 ? O9 B3 K1 97.43(13) 4_666 . ? O11 B3 K1 123.85(14) 1_655 . ? O7 B3 K1 50.53(10) . . ? Ca B3 K1 102.15(7) 4_665 . ? Sr B3 K1 102.15(7) 4_665 . ? K1 B3 K1 168.01(9) 4_565 . ? Na1 B3 K1 168.01(9) 4_565 . ? O9 B3 Sr 93.53(12) 4_666 4_565 ? O11 B3 Sr 141.61(14) 1_655 4_565 ? O7 B3 Sr 39.41(10) . 4_565 ? Ca B3 Sr 155.12(8) 4_665 4_565 ? Sr B3 Sr 155.12(8) 4_665 4_565 ? K1 B3 Sr 93.51(6) 4_565 4_565 ? Na1 B3 Sr 93.51(6) 4_565 4_565 ? K1 B3 Sr 74.69(5) . 4_565 ? O10 B4 O8 123.74(19) . . ? O10 B4 O12 115.96(19) . . ? O8 B4 O12 120.31(19) . . ? O10 B4 Na2 58.21(11) . . ? O8 B4 Na2 163.64(16) . . ? O12 B4 Na2 60.77(11) . . ? O10 B4 Sr 96.44(13) . 1_554 ? O8 B4 Sr 43.41(10) . 1_554 ? O12 B4 Sr 131.64(14) . 1_554 ? Na2 B4 Sr 150.01(9) . 1_554 ? O10 B4 Sr 99.17(13) . 4_565 ? O8 B4 Sr 43.40(10) . 4_565 ? O12 B4 Sr 128.68(14) . 4_565 ? Na2 B4 Sr 121.62(9) . 4_565 ? Sr B4 Sr 74.73(5) 1_554 4_565 ? O6 B5 OH 117.1(2) . . ? O6 B5 O12 122.2(2) . . ? OH B5 O12 120.6(2) . . ? O6 B5 Na2 58.94(11) . 1_655 ? OH B5 Na2 64.38(12) . 1_655 ? O12 B5 Na2 153.98(17) . 1_655 ? O6 B5 K1 45.52(11) . . ? OH B5 K1 97.43(14) . . ? O12 B5 K1 124.94(15) . . ? Na2 B5 K1 76.06(8) 1_655 . ? S O1 Sr 101.62(9) . . ? S O1 Na1 89.44(9) . 1_455 ? Sr O1 Na1 104.69(7) . 1_455 ? S O1 K1 89.44(9) . 1_455 ? Sr O1 K1 104.69(7) . 1_455 ? Na1 O1 K1 0.00(6) 1_455 1_455 ? S O2 K1 97.18(9) . . ? S O3 Ca 109.36(12) . 4_565 ? S O3 Sr 109.36(12) . 4_565 ? Ca O3 Sr 0.000(12) 4_565 4_565 ? S O3 K1 100.83(11) . . ? Ca O3 K1 105.12(8) 4_565 . ? Sr O3 K1 105.12(8) 4_565 . ? S O3 Sr 95.10(9) . . ? Ca O3 Sr 109.23(8) 4_565 . ? Sr O3 Sr 109.23(8) 4_565 . ? K1 O3 Sr 134.47(10) . . ? S O4 Na1 106.58(14) . 1_455 ? S O4 K1 106.58(14) . 1_455 ? Na1 O4 K1 0.00(2) 1_455 1_455 ? S O4 Ca 92.02(14) . 4_565 ? Na1 O4 Ca 126.07(10) 1_455 4_565 ? K1 O4 Ca 126.07(10) 1_455 4_565 ? S O4 Sr 92.02(14) . 4_565 ? Na1 O4 Sr 126.07(10) 1_455 4_565 ? K1 O4 Sr 126.07(10) 1_455 4_565 ? Ca O4 Sr 0.000(4) 4_565 4_565 ? B1 O5 B2 116.95(15) . 1_655 ? B1 O5 Sr 101.61(11) . 1_554 ? B2 O5 Sr 128.32(12) 1_655 1_554 ? B1 O5 Ca 101.61(11) . 1_554 ? B2 O5 Ca 128.32(12) 1_655 1_554 ? Sr O5 Ca 0.000(11) 1_554 1_554 ? B5 O6 B1 122.47(17) . . ? B5 O6 Na2 93.27(13) . 1_655 ? B1 O6 Na2 128.78(12) . 1_655 ? B5 O6 K1 113.33(13) . . ? B1 O6 K1 98.25(12) . . ? Na2 O6 K1 99.12(8) 1_655 . ? B3 O7 B1 119.23(16) . . ? B3 O7 K1 105.50(13) . . ? B1 O7 K1 100.71(12) . . ? B3 O7 Ca 121.24(13) . 4_565 ? B1 O7 Ca 103.25(11) . 4_565 ? K1 O7 Ca 104.07(6) . 4_565 ? B3 O7 Sr 121.24(13) . 4_565 ? B1 O7 Sr 103.25(11) . 4_565 ? K1 O7 Sr 104.07(6) . 4_565 ? Ca O7 Sr 0.000(9) 4_565 4_565 ? B4 O8 B1 122.57(17) . . ? B4 O8 Ca 116.32(13) . 1_554 ? B1 O8 Ca 95.35(11) . 1_554 ? B4 O8 Sr 116.32(13) . 1_554 ? B1 O8 Sr 95.35(11) . 1_554 ? Ca O8 Sr 0.000(8) 1_554 1_554 ? B4 O8 Ca 116.52(12) . 4_565 ? B1 O8 Ca 97.77(11) . 4_565 ? Ca O8 Ca 104.54(5) 1_554 4_565 ? Sr O8 Ca 104.54(5) 1_554 4_565 ? B4 O8 Sr 116.52(12) . 4_565 ? B1 O8 Sr 97.77(11) . 4_565 ? Ca O8 Sr 104.54(5) 1_554 4_565 ? Sr O8 Sr 104.54(5) 1_554 4_565 ? Ca O8 Sr 0.000(11) 4_565 4_565 ? B3 O9 B2 131.74(17) 4_465 . ? B3 O9 Ca 91.59(12) 4_465 1_554 ? B2 O9 Ca 125.46(12) . 1_554 ? B3 O9 Sr 91.59(12) 4_465 1_554 ? B2 O9 Sr 125.46(12) . 1_554 ? Ca O9 Sr 0.000(12) 1_554 1_554 ? B3 O9 K1 74.82(12) 4_465 1_454 ? B2 O9 K1 125.59(12) . 1_454 ? Ca O9 K1 92.48(5) 1_554 1_454 ? Sr O9 K1 92.48(5) 1_554 1_454 ? B4 O10 B2 125.76(17) . . ? B4 O10 Na2 93.47(13) . . ? B2 O10 Na2 135.87(12) . . ? B3 O11 B2 120.67(16) 1_455 . ? B3 O11 Ca 92.72(12) 1_455 4_565 ? B2 O11 Ca 133.18(12) . 4_565 ? B3 O11 Sr 92.72(12) 1_455 4_565 ? B2 O11 Sr 133.18(12) . 4_565 ? Ca O11 Sr 0.000(12) 4_565 4_565 ? B3 O11 K1 87.62(12) 1_455 4_465 ? B2 O11 K1 111.50(12) . 4_465 ? Ca O11 K1 100.84(5) 4_565 4_465 ? Sr O11 K1 100.84(5) 4_565 4_465 ? B3 O11 Na1 87.62(12) 1_455 4_465 ? B2 O11 Na1 111.50(12) . 4_465 ? Ca O11 Na1 100.84(5) 4_565 4_465 ? Sr O11 Na1 100.84(5) 4_565 4_465 ? K1 O11 Na1 0.00(5) 4_465 4_465 ? B5 O12 B4 119.24(18) . . ? B5 O12 Na2 142.05(15) . . ? B4 O12 Na2 89.59(12) . . ? B5 OH Na2 138.01(16) . 3_666 ? B5 OH Na2 87.32(13) . 1_655 ? Na2 OH Na2 87.57(7) 3_666 1_655 ? B5 OH H1 117(3) . . ? Na2 OH H1 94(4) 3_666 . ? Na2 OH H1 137(3) 1_655 . ? K1 W1 Na2 118.83(14) . 3_666 ? 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 OH H1 O2 0.9800(11) 1.723(6) 2.701(3) 175(6) 3_666 _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 30.10 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.887 _refine_diff_density_min -0.696 _refine_diff_density_rms 0.096