#------------------------------------------------------------------------------ #$Date: 2021-02-04 05:33:29 +0200 (Thu, 04 Feb 2021) $ #$Revision: 261505 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559939.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_1559939 loop_ _publ_author_name 'Moon, Dae Jun' 'Lim, Woo Taik' 'Peterson, Brian K.' 'Seff, Karl' _publ_section_title ; Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2+-Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions ; _journal_issue 1 _journal_name_full 'The Journal of Physical Chemistry C' _journal_page_first 583 _journal_page_last 592 _journal_paper_doi 10.1021/acs.jpcc.0c09682 _journal_volume 125 _journal_year 2021 _chemical_formula_sum 'O389.23 Si192 Zn36.1' _chemical_formula_weight 13980.38 _space_group_crystal_system cubic _space_group_IT_number 227 _space_group_name_Hall '-F 4vw 2vw 3' _space_group_name_H-M_alt 'F d -3 m :2' _audit_creation_method SHELXL-2018/3 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 24.7310(2) _cell_length_b 24.7310(2) _cell_length_c 24.7310(2) _cell_measurement_temperature 100(1) _cell_volume 15126.0(2) _computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)' _diffrn_ambient_temperature 100(1) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.953 _diffrn_radiation_wavelength 0.630 _diffrn_reflns_av_R_equivalents 0.0068 _diffrn_reflns_av_unetI/netI 0.0109 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.953 _diffrn_reflns_limit_h_max 43 _diffrn_reflns_limit_h_min 2 _diffrn_reflns_limit_k_max 29 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 28 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 3418 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.953 _diffrn_reflns_theta_full 22.210 _diffrn_reflns_theta_max 33.523 _diffrn_reflns_theta_min 2.065 _exptl_absorpt_coefficient_mu 1.719 _exptl_crystal_density_diffrn 1.535 _exptl_crystal_F_000 6884 _refine_diff_density_max 1.354 _refine_diff_density_min -0.710 _refine_diff_density_rms 0.123 _refine_ls_extinction_coef 0.00018(3) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2018/3 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.249 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 74 _refine_ls_number_reflns 1962 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 1.248 _refine_ls_R_factor_all 0.0560 _refine_ls_R_factor_gt 0.0525 _refine_ls_shift/su_max 0.976 _refine_ls_shift/su_mean 0.223 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0369P)^2^+148.9501P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1314 _refine_ls_wR_factor_ref 0.1382 _reflns_Friedel_coverage 0.000 _reflns_number_gt 1831 _reflns_number_total 1962 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ZnY623-2.cif _cod_data_source_block ZnY623-2 _cod_depositor_comments 'Adding full bibliography for 1559931--1559945.cif.' _cod_original_cell_volume 15126.0(4) _cod_original_sg_symbol_H-M 'F d -3 m' _cod_original_formula_sum 'O389.23 Si192 Zn36.10' _cod_database_code 1559939 _shelx_shelxl_version_number 2018/3 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_res_file ; TITL a in Fd-3m a.res created by SHELXL-2018/3 at 17:09:36 on 29-Nov-2020 CELL 0.63000 24.7310 24.7310 24.7310 90.0000 90.0000 90.0000 ZERR 1.00 0.0002 0.0002 0.0002 0.0000 0.0000 0.0000 LATT 4 SYMM 0.75-X, 0.25-Y, 0.5+Z SYMM 0.25-X, 0.5+Y, 0.75-Z SYMM 0.5+X, 0.75-Y, 0.25-Z SYMM Z, X, Y SYMM 0.5+Z, 0.75-X, 0.25-Y SYMM 0.75-Z, 0.25-X, 0.5+Y SYMM 0.25-Z, 0.5+X, 0.75-Y SYMM Y, Z, X SYMM 0.25-Y, 0.5+Z, 0.75-X SYMM 0.5+Y, 0.75-Z, 0.25-X SYMM 0.75-Y, 0.25-Z, 0.5+X SYMM 0.75+Y, 0.25+X, 0.5-Z SYMM -Y, -X, -Z SYMM 0.25+Y, 0.5-X, 0.75+Z SYMM 0.5-Y, 0.75+X, 0.25+Z SYMM 0.75+X, 0.25+Z, 0.5-Y SYMM 0.5-X, 0.75+Z, 0.25+Y SYMM -X, -Z, -Y SYMM 0.25+X, 0.5-Z, 0.75+Y SYMM 0.75+Z, 0.25+Y, 0.5-X SYMM 0.25+Z, 0.5-Y, 0.75+X SYMM 0.5-Z, 0.75+Y, 0.25+X SYMM -Z, -Y, -X SFAC O 3.04850 13.27711 2.28680 5.70111 1.54630 0.32390 = 0.86700 32.90894 0.25080 0.010 0.006 23.146 0.660 15.999 SFAC Si 6.29151 2.43860 3.03530 32.33374 1.98910 0.67850 = 1.54100 81.69379 1.14070 0.080 0.069 270.270 1.170 28.086 SFAC Zn 14.07431 3.26550 7.03181 0.23330 5.16521 10.31631 = 2.41000 58.70976 1.30410 0.294 1.398 5513.925 2.330 65.390 UNIT 389.23 192 36.10 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! L.S. 1 BOND FMAP 2 PLAN 10 acta rem OMIT 6 SUMP 0.500000 0.000001 1.0 2 1.0 3 SUMP 0.083333 0.000001 0.16667 2 1.0 6 0.5 7 WGHT 0.036900 148.950104 EXTI 0.000184 FVAR 0.13643 0.07835 0.42165 0.29263 0.20738 0.05670 0.02733 SI 2 -0.052343 0.123877 0.036458 11.00000 0.01125 0.00780 = 0.00783 -0.00137 0.00052 -0.00082 O1 1 -0.103109 0.000000 0.103109 10.50000 0.03236 0.04254 = 0.03236 -0.02066 0.00320 -0.02066 O2A 1 0.003238 0.003238 0.150632 10.27534 0.01242 0.01242 = 0.01247 -0.00355 -0.00355 0.00113 O2B 1 -0.005747 -0.005747 0.143206 10.22466 0.01470 0.01470 = 0.01268 0.00163 0.00163 0.00745 O3A 1 -0.031134 0.060245 0.060245 21.00000 0.01434 0.00898 = 0.00898 -0.00002 0.00085 0.00085 O3B 1 -0.024957 0.071258 0.071258 31.00000 0.03192 0.01549 = 0.01549 0.00454 0.00525 0.00525 O4 1 0.079157 0.079157 0.319862 10.50000 0.01895 0.01895 = 0.02092 -0.00340 -0.00340 0.00895 ZN1 3 0.000000 0.000000 0.000000 20.16667 0.03162 0.03162 = 0.03162 0.00340 0.00340 0.00340 ZN1P 3 0.040315 0.040315 0.040315 61.00000 0.01751 0.01751 = 0.01751 0.00919 0.00919 0.00919 ZN1' 3 0.058714 0.058714 0.058714 71.00000 0.01698 0.01698 = 0.01698 -0.00325 -0.00325 -0.00325 ZN2' 3 0.200997 0.200997 0.200997 71.00000 0.01122 0.01122 = 0.01122 0.00124 0.00124 0.00124 ZN2P 3 0.218366 0.218366 0.218366 0.05142 0.00955 0.00955 = 0.00955 0.00308 0.00308 0.00308 ZN2 3 0.243543 0.243543 0.243543 0.01231 0.02714 0.02714 = 0.02714 0.00746 0.00746 0.00746 O5 1 0.132670 0.165637 0.165637 71.00000 0.02707 HKLF 4 REM a in Fd-3m REM wR2 = 0.1382, GooF = S = 1.249, Restrained GooF = 1.248 for all data REM R1 = 0.0525 for 1831 Fo > 4sig(Fo) and 0.0560 for all 1962 data REM 74 parameters refined using 2 restraints END WGHT 0.0642 130.4975 REM Highest difference peak 1.354, deepest hole -0.710, 1-sigma level 0.123 Q1 1 0.1250 0.1250 0.1250 10.04167 0.05 1.35 Q2 1 0.0209 0.0209 0.0209 10.16667 0.05 0.76 Q3 1 0.0587 0.0989 0.3070 11.00000 0.05 0.69 Q4 1 0.0587 0.0587 0.0443 10.50000 0.05 0.64 Q5 1 -0.0776 0.0117 0.1131 11.00000 0.05 0.56 Q6 1 0.3750 0.3750 0.3750 10.04167 0.05 0.55 Q7 1 0.2756 0.2756 0.2756 10.16667 0.05 0.52 Q8 1 0.1250 0.1250 0.4106 10.25000 0.05 0.50 Q9 1 0.1536 0.1536 0.1536 10.16667 0.05 0.50 Q10 1 0.0933 0.0933 0.3487 10.50000 0.05 0.48 ; _shelx_res_checksum 72361 _shelx_hkl_file ; 2 0 0 3.3 0.2 1 2 2 0 3129.2 27.8 1 2 2 2 34.9 0.8 1 3 1 1 5686.3 45.1 1 3 3 1 8417.6 70.5 1 3 3 3 504.4 7.6 1 4 0 0 2842.8 27.2 1 4 0 2 1.4 0.2 1 4 2 0 1.3 0.2 1 4 2 2 130.5 1.3 1 4 4 0 3955.0 31.9 1 4 4 2 320.1 2.8 1 4 4 4 352.3 5.9 1 5 1 1 104.6 1.2 1 5 1 3 242.6 2.2 1 5 3 1 240.5 2.2 1 5 3 3 13133.8 103.1 1 5 5 1 341.2 3.4 1 5 5 3 8.5 0.3 1 5 5 5 47052.7 708.9 1 6 0 0 20.7 0.7 1 6 0 2 89.4 0.9 1 6 0 4 1.3 0.3 1 6 2 0 90.3 0.9 1 6 2 2 194.7 1.7 1 6 2 4 9867.2 77.9 1 6 4 0 1.3 0.3 1 6 4 2 9876.5 95.8 1 6 4 4 23.8 0.5 1 6 6 0 274.5 2.8 1 6 6 2 8.0 0.3 1 6 6 4 19289.3 150.5 1 6 6 6 30545.0 427.5 1 7 1 1 1595.4 12.1 1 7 1 3 241.0 2.1 1 7 1 5 178.1 1.8 1 7 3 1 241.3 2.2 1 7 3 3 2595.7 19.6 1 7 3 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76.0 1.2 1 10 2 0 197.7 1.9 1 10 2 2 1663.4 12.9 1 10 2 4 13.1 0.5 1 10 2 6 71.5 0.9 1 10 2 8 2391.9 18.1 1 10 4 0 19.2 0.5 1 10 4 2 12.8 0.5 1 10 4 4 20.5 0.6 1 10 4 6 275.8 2.6 1 10 4 8 22.9 0.5 1 10 6 0 28.1 0.6 1 10 6 2 73.3 0.9 1 10 6 4 272.9 2.5 1 10 6 6 53.9 0.9 1 10 6 8 688.6 6.0 1 10 8 0 73.7 1.2 1 10 8 2 2407.1 17.6 1 10 8 4 22.6 0.5 1 10 8 6 689.9 6.0 1 10 8 8 196.5 2.2 1 10 10 0 18496.2 127.4 1 10 10 2 13.4 0.5 1 10 10 4 2244.7 15.9 1 10 10 6 921.6 7.7 1 10 10 8 3121.4 25.3 1 10 10 10 3.6 1.3 1 11 1 1 5741.7 39.0 1 11 1 3 801.3 6.2 1 11 1 5 13.5 0.5 1 11 1 7 1388.5 10.6 1 11 1 9 106.6 1.3 1 11 3 1 807.1 6.4 1 11 3 3 4636.0 32.4 1 11 3 5 94.0 1.1 1 11 3 7 427.4 3.9 1 11 3 9 6783.3 46.9 1 11 5 1 12.5 0.5 1 11 5 3 94.5 1.1 1 11 5 5 184.7 1.9 1 11 5 7 98.2 1.2 1 11 5 9 93.4 1.2 1 11 7 1 1389.2 10.8 1 11 7 3 428.4 3.7 1 11 7 5 99.1 1.2 1 11 7 7 4.3 0.4 1 11 7 9 1482.0 12.3 1 11 9 1 107.7 1.3 1 11 9 3 6739.0 47.1 1 11 9 5 95.7 1.2 1 11 9 7 1476.8 12.4 1 11 9 9 976.8 8.7 1 11 11 1 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23 52.5 2.1 1 25 17 1 191.0 2.4 1 25 17 3 1091.3 10.1 1 25 17 5 64.8 1.6 1 25 17 7 503.3 5.3 1 25 17 9 25.3 1.4 1 25 17 11 42.7 1.7 1 25 17 13 271.9 3.7 1 25 17 15 100.8 2.3 1 25 17 17 7.6 1.6 1 25 17 19 488.2 6.0 1 25 17 21 102.5 2.5 1 25 17 23 14.5 1.8 1 25 19 1 725.8 6.6 1 25 19 3 77.0 1.6 1 25 19 5 897.3 8.4 1 25 19 7 254.8 3.4 1 25 19 9 51.2 1.8 1 25 19 11 279.1 3.9 1 25 19 13 479.9 5.7 1 25 19 15 276.2 4.0 1 25 19 17 496.6 6.2 1 25 19 19 49.2 2.1 1 25 19 21 7.2 1.9 1 25 19 23 72.1 2.4 1 25 21 1 461.1 4.5 1 25 21 3 24.8 1.3 1 25 21 5 192.8 2.7 1 25 21 7 5.1 1.4 1 25 21 9 383.9 4.8 1 25 21 11 346.6 4.5 1 25 21 13 306.7 4.3 1 25 21 15 2.9 1.6 1 25 21 17 104.9 2.6 1 25 21 19 7.7 1.9 1 25 21 21 11.9 1.9 1 25 21 23 58.2 3.0 1 25 23 1 10.4 1.2 1 25 23 3 652.6 6.3 1 25 23 5 17.2 1.5 1 25 23 7 36.3 1.7 1 25 23 9 930.8 9.6 1 25 23 11 57.3 2.0 1 25 23 13 77.7 2.3 1 25 23 15 49.7 2.1 1 25 23 17 13.5 1.8 1 25 23 19 73.9 2.4 1 25 23 21 62.1 2.9 1 25 25 1 5.0 1.3 1 25 25 3 48.4 1.5 1 25 25 5 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9 7 46.0 1.5 1 31 9 9 52.6 1.6 1 31 9 11 124.4 2.4 1 31 9 13 132.4 2.3 1 31 9 15 32.7 1.6 1 31 9 17 42.1 1.8 1 31 9 19 8.6 1.7 1 31 9 21 23.8 2.1 1 31 9 23 547.1 10.8 1 31 9 25 17.8 4.3 1 31 9 27 96.6 10.5 1 31 11 1 21.0 1.3 1 31 11 3 1884.7 14.9 1 31 11 5 9.9 1.2 1 31 11 7 39.1 1.5 1 31 11 9 120.0 2.4 1 31 11 11 1.7 1.3 1 31 11 13 273.1 3.6 1 31 11 15 254.0 3.8 1 31 11 17 5.0 1.9 1 31 11 19 200.8 3.8 1 31 11 21 8.5 2.2 1 31 11 23 9.2 3.0 1 31 11 25 319.6 10.0 1 31 11 27 146.4 10.6 1 31 13 1 528.5 5.4 1 31 13 3 53.1 1.6 1 31 13 5 294.1 3.4 1 31 13 7 34.8 1.7 1 31 13 9 130.0 2.4 1 31 13 11 277.7 3.6 1 31 13 13 346.5 4.7 1 31 13 15 4.3 1.9 1 31 13 17 350.8 5.5 1 31 13 19 3.4 1.8 1 31 13 21 75.3 3.3 1 31 13 23 152.2 6.0 1 31 13 25 199.0 7.0 1 31 15 1 231.3 3.0 1 31 15 3 397.4 4.3 1 31 15 5 286.4 3.4 1 31 15 7 243.6 3.4 1 31 15 9 31.8 1.6 1 31 15 11 250.3 3.7 1 31 15 13 4.9 1.8 1 31 15 15 487.5 6.6 1 31 15 17 90.3 2.7 1 31 15 19 98.8 3.5 1 31 15 21 15.8 2.9 1 31 15 23 517.3 12.0 1 31 15 25 13.4 5.4 1 31 17 1 42.5 1.7 1 31 17 3 479.3 4.8 1 31 17 5 28.2 1.6 1 31 17 7 31.1 1.5 1 31 17 9 40.0 1.9 1 31 17 11 7.7 1.9 1 31 17 13 362.4 5.4 1 31 17 15 86.4 2.6 1 31 17 17 5.2 2.4 1 31 17 19 108.3 3.6 1 31 17 21 1.8 3.6 1 31 17 23 0.2 4.6 1 31 19 1 56.7 1.8 1 31 19 3 44.4 1.7 1 31 19 5 134.1 2.5 1 31 19 7 28.4 1.8 1 31 19 9 7.0 1.8 1 31 19 11 194.4 3.7 1 31 19 13 3.1 1.8 1 31 19 15 97.2 3.4 1 31 19 17 112.5 3.6 1 31 19 19 52.4 3.9 1 31 19 21 4.4 6.8 1 31 21 1 62.7 2.0 1 31 21 3 73.6 1.9 1 31 21 5 9.4 1.4 1 31 21 7 25.7 2.1 1 31 21 9 21.1 2.0 1 31 21 11 5.1 2.1 1 31 21 13 75.5 3.4 1 31 21 15 17.9 3.0 1 31 21 17 1.5 4.1 1 31 21 19 6.5 6.0 1 31 23 1 31.5 1.7 1 31 23 3 47.6 2.0 1 31 23 5 22.4 1.8 1 31 23 7 5.0 2.5 1 31 23 9 556.0 10.2 1 31 23 11 12.7 3.4 1 31 23 13 161.4 6.2 1 31 23 15 516.5 12.9 1 31 23 17 -2.9 5.7 1 31 25 1 386.1 12.5 1 31 25 3 10.3 3.7 1 31 25 5 176.6 6.3 1 31 25 7 142.2 6.1 1 31 25 9 15.5 4.7 1 31 25 11 330.1 9.0 1 31 25 13 206.0 6.8 1 31 25 15 16.5 7.0 1 31 27 3 206.7 12.7 1 31 27 5 59.3 9.0 1 31 27 7 79.5 10.5 1 31 27 9 80.7 13.5 1 31 27 11 145.3 10.8 1 32 0 0 2028.5 22.5 1 32 0 2 0.1 1.2 1 32 0 4 376.5 4.0 1 32 0 6 1.2 1.2 1 32 0 8 95.2 1.8 1 32 0 10 1.2 1.2 1 32 0 12 930.7 8.4 1 32 0 14 1.9 1.3 1 32 0 16 19.1 1.5 1 32 0 18 0.9 1.5 1 32 0 20 222.3 3.2 1 32 0 22 1.5 1.8 1 32 0 24 5.5 5.3 1 32 2 0 1.4 1.2 1 32 2 2 464.6 4.7 1 32 2 4 127.6 2.2 1 32 2 6 316.4 3.6 1 32 2 8 1.2 1.2 1 32 2 10 496.6 4.9 1 32 2 12 57.5 1.8 1 32 2 14 615.3 6.2 1 32 2 16 15.4 1.5 1 32 2 18 233.4 3.2 1 32 2 20 9.5 1.5 1 32 2 22 3.4 1.7 1 32 2 24 25.5 4.1 1 32 4 0 374.8 4.3 1 32 4 2 127.2 2.0 1 32 4 4 178.8 2.5 1 32 4 6 2.7 1.3 1 32 4 8 52.5 1.7 1 32 4 10 67.1 1.7 1 32 4 12 132.8 2.3 1 32 4 14 101.4 2.1 1 32 4 16 276.0 3.6 1 32 4 18 73.9 2.0 1 32 4 20 36.8 1.8 1 32 4 22 3.0 1.9 1 32 4 24 2.9 3.4 1 32 4 26 57.5 7.9 1 32 6 0 0.6 1.2 1 32 6 2 314.8 3.6 1 32 6 4 2.5 1.2 1 32 6 6 18.3 1.3 1 32 6 8 112.0 2.0 1 32 6 10 198.0 2.7 1 32 6 12 0.5 1.2 1 32 6 14 821.0 7.8 1 32 6 16 7.6 1.6 1 32 6 18 0.9 1.5 1 32 6 20 21.1 1.8 1 32 6 22 8.5 2.5 1 32 6 24 -2.5 4.1 1 32 6 26 389.8 19.4 1 32 8 0 93.8 1.9 1 32 8 2 1.8 1.2 1 32 8 4 54.0 1.6 1 32 8 6 112.0 2.1 1 32 8 8 36.0 1.5 1 32 8 10 3.6 1.3 1 32 8 12 514.4 5.6 1 32 8 14 94.3 2.2 1 32 8 16 122.4 2.5 1 32 8 18 0.9 1.7 1 32 8 20 125.9 3.1 1 32 8 22 80.2 3.8 1 32 8 24 57.8 5.2 1 32 8 26 8.7 7.3 1 32 10 0 1.5 1.2 1 32 10 2 494.6 4.9 1 32 10 4 65.1 1.6 1 32 10 6 193.0 2.8 1 32 10 8 3.1 1.2 1 32 10 10 161.8 2.6 1 32 10 12 5.8 1.5 1 32 10 14 552.1 5.7 1 32 10 16 72.8 2.2 1 32 10 18 9.7 1.9 1 32 10 20 19.3 2.2 1 32 10 22 198.9 5.7 1 32 10 24 11.7 4.1 1 32 10 26 219.6 14.1 1 32 12 0 922.7 8.2 1 32 12 2 57.7 1.7 1 32 12 4 135.9 2.3 1 32 12 6 3.4 1.2 1 32 12 8 518.4 5.6 1 32 12 10 3.1 1.5 1 32 12 12 259.2 3.5 1 32 12 14 17.0 1.8 1 32 12 16 6.0 2.0 1 32 12 18 8.5 2.0 1 32 12 20 6.4 2.6 1 32 12 22 2.6 3.7 1 32 12 24 15.0 4.3 1 32 14 0 1.3 1.4 1 32 14 2 611.7 6.0 1 32 14 4 99.4 2.0 1 32 14 6 820.6 8.3 1 32 14 8 95.6 2.2 1 32 14 10 555.8 6.2 1 32 14 12 21.9 1.8 1 32 14 14 281.2 4.6 1 32 14 16 88.4 2.6 1 32 14 18 180.7 4.2 1 32 14 20 5.4 2.7 1 32 14 22 389.8 9.5 1 32 14 24 0.9 5.2 1 32 16 0 16.8 1.4 1 32 16 2 15.1 1.4 1 32 16 4 275.4 3.7 1 32 16 6 6.5 1.5 1 32 16 8 119.2 2.4 1 32 16 10 73.9 2.2 1 32 16 12 5.4 1.9 1 32 16 14 90.8 2.9 1 32 16 16 203.9 4.7 1 32 16 18 8.2 2.3 1 32 16 20 9.3 3.4 1 32 16 22 50.4 5.9 1 32 16 24 1.8 6.4 1 32 18 0 0.1 1.3 1 32 18 2 233.7 3.2 1 32 18 4 74.1 2.1 1 32 18 6 1.2 1.5 1 32 18 8 1.4 1.7 1 32 18 10 10.4 1.9 1 32 18 12 10.0 2.3 1 32 18 14 173.2 4.3 1 32 18 16 7.5 2.5 1 32 18 18 32.3 3.5 1 32 18 20 -0.9 5.0 1 32 20 0 219.7 3.1 1 32 20 2 8.6 1.5 1 32 20 4 36.2 1.8 1 32 20 6 19.5 1.8 1 32 20 8 126.9 2.7 1 32 20 10 18.6 2.1 1 32 20 12 2.4 2.4 1 32 20 14 4.7 3.0 1 32 20 16 5.3 3.0 1 32 20 18 1.5 5.1 1 32 22 0 -0.1 1.5 1 32 22 2 1.7 1.6 1 32 22 4 1.5 1.7 1 32 22 6 8.7 2.6 1 32 22 8 74.9 3.4 1 32 22 10 203.3 5.7 1 32 22 12 5.6 3.8 1 32 22 14 380.2 9.5 1 32 22 16 61.1 5.9 1 32 24 0 2.4 5.1 1 32 24 2 26.0 4.1 1 32 24 4 5.9 4.2 1 32 24 6 5.5 3.5 1 32 24 8 57.0 5.7 1 32 24 10 7.8 3.7 1 32 24 12 16.0 4.7 1 32 24 14 8.1 5.1 1 32 24 16 3.7 5.7 1 32 26 2 0.0 0.0 1 32 26 4 49.0 9.4 1 32 26 6 429.4 18.1 1 32 26 8 10.1 6.8 1 32 26 10 204.0 12.3 1 33 1 1 1033.8 8.8 1 33 1 3 92.6 2.1 1 33 1 5 8.1 1.2 1 33 1 7 12.3 1.3 1 33 1 9 7.2 1.4 1 33 1 11 1799.9 14.5 1 33 1 13 75.5 1.9 1 33 1 15 87.3 2.1 1 33 1 17 212.1 3.1 1 33 1 19 46.8 1.9 1 33 1 21 64.7 2.3 1 33 1 23 782.1 20.3 1 33 3 1 97.0 2.0 1 33 3 3 679.0 6.7 1 33 3 5 62.9 1.7 1 33 3 7 1.1 1.2 1 33 3 9 525.0 5.6 1 33 3 11 81.7 1.9 1 33 3 13 29.5 1.5 1 33 3 15 577.1 5.8 1 33 3 17 11.3 1.5 1 33 3 19 2.9 1.5 1 33 3 21 120.1 3.1 1 33 3 23 70.1 5.5 1 33 3 25 40.0 10.4 1 33 5 1 9.4 1.4 1 33 5 3 61.9 1.7 1 33 5 5 2.8 1.2 1 33 5 7 192.2 2.7 1 33 5 9 15.4 1.4 1 33 5 11 153.8 2.6 1 33 5 13 107.5 2.2 1 33 5 15 34.1 1.5 1 33 5 17 24.1 1.8 1 33 5 19 129.9 2.7 1 33 5 21 25.8 2.7 1 33 5 23 1.8 3.5 1 33 5 25 11.2 7.2 1 33 7 1 12.1 1.3 1 33 7 3 2.1 1.3 1 33 7 5 198.6 2.8 1 33 7 7 288.9 3.5 1 33 7 9 8.3 1.3 1 33 7 11 3.6 1.4 1 33 7 13 120.7 2.5 1 33 7 15 60.0 2.0 1 33 7 17 5.9 1.6 1 33 7 19 173.4 3.1 1 33 7 21 5.7 2.7 1 33 7 23 9.7 3.8 1 33 7 25 9.9 7.1 1 33 9 1 7.5 1.3 1 33 9 3 525.0 5.4 1 33 9 5 14.5 1.4 1 33 9 7 10.2 1.4 1 33 9 9 269.7 3.5 1 33 9 11 29.5 1.8 1 33 9 13 112.9 2.5 1 33 9 15 509.9 6.0 1 33 9 17 16.2 1.7 1 33 9 19 69.2 2.9 1 33 9 21 40.9 3.8 1 33 9 23 19.8 4.5 1 33 9 25 19.7 7.3 1 33 11 1 1802.5 14.8 1 33 11 3 83.7 1.9 1 33 11 5 157.4 2.6 1 33 11 7 4.8 1.3 1 33 11 9 26.2 1.6 1 33 11 11 3104.7 25.1 1 33 11 13 308.7 4.2 1 33 11 15 40.6 2.1 1 33 11 17 72.6 2.4 1 33 11 19 18.6 2.8 1 33 11 21 599.6 12.7 1 33 11 23 1050.6 20.6 1 33 11 25 22.9 7.7 1 33 13 1 74.6 1.9 1 33 13 3 30.7 1.5 1 33 13 5 105.7 2.2 1 33 13 7 121.2 2.3 1 33 13 9 114.4 2.4 1 33 13 11 325.3 4.6 1 33 13 13 104.8 2.7 1 33 13 15 93.1 2.9 1 33 13 17 11.4 2.5 1 33 13 19 5.9 2.8 1 33 13 21 76.1 5.1 1 33 13 23 86.5 6.8 1 33 15 1 85.2 1.9 1 33 15 3 578.0 6.0 1 33 15 5 41.9 1.8 1 33 15 7 62.7 2.0 1 33 15 9 523.3 6.1 1 33 15 11 39.7 2.1 1 33 15 13 94.0 2.7 1 33 15 15 29.9 2.7 1 33 15 17 22.9 2.7 1 33 15 19 7.3 3.0 1 33 15 21 153.6 8.1 1 33 15 23 30.0 5.2 1 33 17 1 209.4 3.1 1 33 17 3 9.0 1.5 1 33 17 5 24.1 1.7 1 33 17 7 6.5 1.6 1 33 17 9 16.8 1.8 1 33 17 11 71.3 2.5 1 33 17 13 8.7 2.4 1 33 17 15 26.8 2.7 1 33 17 17 63.6 4.0 1 33 17 19 3.3 3.4 1 33 17 21 15.5 8.1 1 33 19 1 47.5 1.9 1 33 19 3 2.6 1.6 1 33 19 5 125.2 2.5 1 33 19 7 167.8 3.4 1 33 19 9 70.5 2.7 1 33 19 11 17.5 2.5 1 33 19 13 5.7 2.8 1 33 19 15 5.5 2.8 1 33 19 17 6.1 4.5 1 33 21 1 63.1 2.1 1 33 21 3 119.7 3.0 1 33 21 5 23.7 2.8 1 33 21 7 8.8 3.0 1 33 21 9 43.4 4.0 1 33 21 11 572.6 13.0 1 33 21 13 77.4 5.2 1 33 21 15 160.1 8.0 1 33 21 17 11.0 7.3 1 33 23 1 778.8 20.9 1 33 23 3 73.1 6.6 1 33 23 5 2.3 4.6 1 33 23 7 6.9 3.9 1 33 23 9 17.2 4.4 1 33 23 11 1067.4 21.2 1 33 23 13 93.2 6.0 1 33 23 15 21.0 6.3 1 33 25 3 43.6 8.1 1 33 25 5 10.4 7.4 1 33 25 7 19.2 8.4 1 33 25 9 9.2 12.3 1 33 25 11 16.5 7.6 1 34 0 0 3.1 1.9 1 34 0 2 686.8 6.3 1 34 0 4 2.5 1.4 1 34 0 6 306.7 3.7 1 34 0 8 -0.5 1.5 1 34 0 10 3454.3 27.0 1 34 0 12 1.1 1.4 1 34 0 14 16.8 1.5 1 34 0 16 1.0 1.5 1 34 0 18 165.1 2.8 1 34 0 20 1.4 2.1 1 34 0 22 2916.6 88.8 1 34 2 0 687.0 6.6 1 34 2 2 5.5 1.3 1 34 2 4 225.6 2.9 1 34 2 6 6.1 1.4 1 34 2 8 335.9 4.0 1 34 2 10 30.0 1.6 1 34 2 12 326.6 3.8 1 34 2 14 200.5 3.0 1 34 2 16 7.1 1.5 1 34 2 18 106.7 2.4 1 34 2 20 171.8 3.9 1 34 2 22 18.5 6.5 1 34 4 0 1.5 1.2 1 34 4 2 228.7 3.1 1 34 4 4 27.9 1.5 1 34 4 6 99.0 2.0 1 34 4 8 126.1 2.4 1 34 4 10 51.6 1.7 1 34 4 12 48.3 1.8 1 34 4 14 184.6 2.8 1 34 4 16 54.6 1.8 1 34 4 18 74.9 2.2 1 34 4 20 128.3 4.1 1 34 4 22 25.5 4.8 1 34 4 24 6.3 7.2 1 34 6 0 312.7 3.7 1 34 6 2 6.9 1.3 1 34 6 4 99.1 2.1 1 34 6 6 410.4 4.3 1 34 6 8 79.1 1.9 1 34 6 10 39.3 1.7 1 34 6 12 380.0 4.3 1 34 6 14 30.7 1.8 1 34 6 16 32.6 1.8 1 34 6 18 37.5 1.9 1 34 6 20 -0.7 2.9 1 34 6 22 42.3 6.3 1 34 6 24 40.1 13.3 1 34 8 0 2.1 1.3 1 34 8 2 337.7 4.0 1 34 8 4 127.1 2.2 1 34 8 6 82.2 1.9 1 34 8 8 298.6 3.8 1 34 8 10 194.0 3.0 1 34 8 12 33.8 1.8 1 34 8 14 786.3 7.9 1 34 8 16 35.8 2.0 1 34 8 18 77.5 2.8 1 34 8 20 110.7 4.3 1 34 8 22 63.3 5.2 1 34 8 24 17.6 8.2 1 34 10 0 3435.1 26.4 1 34 10 2 28.4 1.6 1 34 10 4 50.7 1.8 1 34 10 6 36.5 1.7 1 34 10 8 189.1 2.9 1 34 10 10 8.4 1.5 1 34 10 12 2000.3 16.8 1 34 10 14 8.5 1.7 1 34 10 16 30.8 2.0 1 34 10 18 67.5 3.1 1 34 10 20 58.0 3.9 1 34 10 22 5.3 3.9 1 34 10 24 183.4 13.7 1 34 12 0 0.9 1.5 1 34 12 2 318.0 3.8 1 34 12 4 46.7 1.8 1 34 12 6 380.0 4.7 1 34 12 8 33.1 1.8 1 34 12 10 1955.2 17.2 1 34 12 12 17.3 1.8 1 34 12 14 38.5 2.1 1 34 12 16 9.9 2.4 1 34 12 18 7.8 2.9 1 34 12 20 0.5 3.6 1 34 12 22 2294.9 45.4 1 34 14 0 17.6 1.7 1 34 14 2 196.6 2.9 1 34 14 4 181.6 2.9 1 34 14 6 31.4 1.9 1 34 14 8 793.6 8.7 1 34 14 10 9.2 1.7 1 34 14 12 42.5 2.2 1 34 14 14 68.9 3.1 1 34 14 16 13.2 2.5 1 34 14 18 19.1 2.9 1 34 14 20 102.8 6.5 1 34 14 22 -4.1 4.8 1 34 16 0 -0.1 1.5 1 34 16 2 9.4 1.6 1 34 16 4 59.7 2.1 1 34 16 6 29.9 1.8 1 34 16 8 40.5 1.8 1 34 16 10 31.5 2.1 1 34 16 12 8.9 2.6 1 34 16 14 13.7 2.6 1 34 16 16 1.9 2.8 1 34 16 18 93.3 5.0 1 34 16 20 7.2 5.7 1 34 18 0 169.5 2.8 1 34 18 2 99.8 2.4 1 34 18 4 76.8 2.2 1 34 18 6 33.3 1.9 1 34 18 8 80.0 2.9 1 34 18 10 75.9 3.1 1 34 18 12 8.4 2.7 1 34 18 14 14.3 3.1 1 34 18 16 101.3 5.4 1 34 20 0 3.0 1.8 1 34 20 2 165.3 4.0 1 34 20 4 134.9 4.2 1 34 20 6 2.6 3.0 1 34 20 8 119.5 4.5 1 34 20 10 60.0 4.0 1 34 20 12 3.6 4.1 1 34 20 14 110.6 6.8 1 34 20 16 10.9 6.1 1 34 22 0 2751.2 58.3 1 34 22 2 16.5 6.2 1 34 22 4 29.0 5.9 1 34 22 6 39.1 5.8 1 34 22 8 72.3 5.6 1 34 22 10 6.8 3.9 1 34 22 12 2357.6 52.7 1 34 22 14 -0.3 5.5 1 34 24 4 17.2 8.7 1 34 24 6 58.6 9.0 1 34 24 8 18.2 6.8 1 34 24 10 196.8 10.7 1 35 1 1 401.5 4.3 1 35 1 3 120.0 2.2 1 35 1 5 33.1 1.6 1 35 1 7 45.3 1.8 1 35 1 9 43.9 1.8 1 35 1 11 600.7 6.0 1 35 1 13 78.6 2.1 1 35 1 15 112.7 2.5 1 35 1 17 39.0 1.8 1 35 1 19 1.1 2.4 1 35 1 21 44.1 8.1 1 35 3 1 117.1 2.3 1 35 3 3 102.7 2.2 1 35 3 5 25.1 1.6 1 35 3 7 61.2 1.9 1 35 3 9 281.2 3.6 1 35 3 11 33.4 1.7 1 35 3 13 385.8 4.7 1 35 3 15 19.1 1.7 1 35 3 17 61.0 2.0 1 35 3 19 255.7 5.8 1 35 3 21 54.6 9.4 1 35 5 1 32.1 1.6 1 35 5 3 24.1 1.5 1 35 5 5 177.8 2.8 1 35 5 7 91.8 2.1 1 35 5 9 63.8 1.9 1 35 5 11 71.8 2.0 1 35 5 13 135.3 2.6 1 35 5 15 6.2 1.6 1 35 5 17 1.8 1.8 1 35 5 19 25.8 3.7 1 35 5 21 4.9 4.4 1 35 5 23 12.3 9.7 1 35 7 1 47.3 1.7 1 35 7 3 61.2 1.8 1 35 7 5 93.6 2.1 1 35 7 7 12.3 1.5 1 35 7 9 144.2 2.6 1 35 7 11 6.0 1.4 1 35 7 13 0.9 1.7 1 35 7 15 8.4 1.7 1 35 7 17 -1.6 2.0 1 35 7 19 87.0 4.4 1 35 7 21 9.3 4.5 1 35 7 23 25.1 13.2 1 35 9 1 45.4 1.8 1 35 9 3 279.1 3.5 1 35 9 5 65.8 1.8 1 35 9 7 141.2 2.5 1 35 9 9 116.4 2.5 1 35 9 11 31.1 1.8 1 35 9 13 234.9 3.9 1 35 9 15 3.1 1.7 1 35 9 17 142.9 3.9 1 35 9 19 353.0 8.5 1 35 9 21 100.7 6.7 1 35 9 23 3.9 6.7 1 35 11 1 604.2 6.2 1 35 11 3 34.0 1.7 1 35 11 5 71.6 2.0 1 35 11 7 6.5 1.5 1 35 11 9 31.9 1.9 1 35 11 11 1447.1 13.2 1 35 11 13 103.0 2.5 1 35 11 15 8.0 2.6 1 35 11 17 11.0 2.9 1 35 11 19 43.4 4.0 1 35 11 21 62.1 6.1 1 35 13 1 78.1 2.0 1 35 13 3 385.8 4.7 1 35 13 5 131.1 2.5 1 35 13 7 1.1 1.6 1 35 13 9 237.7 3.6 1 35 13 11 101.3 2.5 1 35 13 13 88.0 3.4 1 35 13 15 26.1 3.1 1 35 13 17 15.4 3.2 1 35 13 19 19.1 5.5 1 35 13 21 16.2 7.2 1 35 15 1 111.9 2.4 1 35 15 3 21.4 1.6 1 35 15 5 8.4 1.7 1 35 15 7 7.9 1.7 1 35 15 9 2.7 1.9 1 35 15 11 6.2 2.4 1 35 15 13 22.6 2.6 1 35 15 15 51.6 3.7 1 35 15 17 10.1 3.8 1 35 15 19 51.0 9.4 1 35 17 1 40.6 1.9 1 35 17 3 64.7 2.0 1 35 17 5 3.3 1.8 1 35 17 7 0.1 2.2 1 35 17 9 137.8 4.0 1 35 17 11 11.9 2.8 1 35 17 13 14.9 3.0 1 35 17 15 11.3 4.4 1 35 17 17 27.9 8.6 1 35 19 1 4.9 2.6 1 35 19 3 258.3 5.9 1 35 19 5 28.2 3.6 1 35 19 7 92.9 4.9 1 35 19 9 352.7 8.4 1 35 19 11 53.9 4.6 1 35 19 13 18.5 4.8 1 35 19 15 56.4 6.8 1 35 21 1 51.3 8.6 1 35 21 3 44.9 7.4 1 35 21 5 1.2 5.0 1 35 21 7 11.3 5.6 1 35 21 9 87.6 7.3 1 35 21 11 54.8 6.7 1 35 21 13 14.1 9.2 1 35 23 5 2.7 15.3 1 35 23 7 30.2 8.0 1 35 23 9 -1.8 9.9 1 36 0 0 277.3 5.1 1 36 0 2 1.3 1.5 1 36 0 4 180.0 2.8 1 36 0 6 1.3 1.5 1 36 0 8 504.9 5.3 1 36 0 10 0.4 1.5 1 36 0 12 261.8 3.5 1 36 0 14 -1.0 1.7 1 36 0 16 1.0 1.6 1 36 0 18 2.7 2.9 1 36 2 0 0.0 1.4 1 36 2 2 401.5 4.6 1 36 2 4 7.1 1.6 1 36 2 6 517.0 5.5 1 36 2 8 8.0 1.5 1 36 2 10 538.2 5.6 1 36 2 12 1.1 1.6 1 36 2 14 225.6 3.5 1 36 2 16 37.1 2.0 1 36 2 18 10.8 3.3 1 36 2 20 1.2 6.5 1 36 4 0 178.3 2.8 1 36 4 2 3.8 1.5 1 36 4 4 155.9 2.7 1 36 4 6 23.5 1.7 1 36 4 8 134.3 2.4 1 36 4 10 37.8 1.8 1 36 4 12 43.0 1.8 1 36 4 14 14.9 1.7 1 36 4 16 13.3 2.1 1 36 4 18 100.7 4.9 1 36 4 20 43.9 8.1 1 36 6 0 1.6 1.5 1 36 6 2 513.9 5.6 1 36 6 4 24.1 1.6 1 36 6 6 13.2 1.6 1 36 6 8 21.9 1.7 1 36 6 10 162.2 2.8 1 36 6 12 2.7 1.5 1 36 6 14 250.1 3.9 1 36 6 16 2.6 2.4 1 36 6 18 129.2 4.7 1 36 6 20 23.6 5.4 1 36 6 22 38.5 14.2 1 36 8 0 509.7 5.7 1 36 8 2 6.7 1.6 1 36 8 4 131.7 2.6 1 36 8 6 21.8 1.6 1 36 8 8 11.5 1.7 1 36 8 10 8.8 1.6 1 36 8 12 403.0 5.0 1 36 8 14 15.0 2.1 1 36 8 16 441.9 8.3 1 36 8 18 17.7 3.4 1 36 8 20 3.6 4.7 1 36 8 22 5.4 16.8 1 36 10 0 -2.1 1.5 1 36 10 2 531.9 5.7 1 36 10 4 38.3 1.8 1 36 10 6 164.3 2.7 1 36 10 8 6.6 1.5 1 36 10 10 16.8 2.0 1 36 10 12 5.4 1.8 1 36 10 14 108.9 3.8 1 36 10 16 5.5 2.9 1 36 10 18 2.0 3.2 1 36 10 20 -1.8 5.2 1 36 12 0 259.3 3.6 1 36 12 2 1.6 1.6 1 36 12 4 40.2 1.9 1 36 12 6 0.2 1.5 1 36 12 8 403.0 5.2 1 36 12 10 7.7 1.9 1 36 12 12 79.1 3.3 1 36 12 14 2.7 2.5 1 36 12 16 13.5 3.0 1 36 12 18 2.0 4.1 1 36 12 20 293.2 12.9 1 36 14 0 -0.4 1.6 1 36 14 2 228.4 3.5 1 36 14 4 16.0 1.7 1 36 14 6 254.5 3.8 1 36 14 8 13.6 2.0 1 36 14 10 118.2 3.7 1 36 14 12 5.3 2.5 1 36 14 14 114.9 4.4 1 36 14 16 -0.5 3.7 1 36 14 18 31.4 6.3 1 36 16 0 1.7 1.6 1 36 16 2 36.0 2.0 1 36 16 4 12.0 2.1 1 36 16 6 1.8 2.3 1 36 16 8 440.9 8.3 1 36 16 10 8.3 3.0 1 36 16 12 12.5 3.1 1 36 16 14 4.5 4.2 1 36 16 16 4.7 6.8 1 36 18 0 0.8 2.8 1 36 18 2 8.9 3.4 1 36 18 4 94.0 4.4 1 36 18 6 131.1 5.3 1 36 18 8 15.8 3.4 1 36 18 10 -0.9 3.3 1 36 18 12 1.1 3.9 1 36 18 14 36.4 5.9 1 36 20 0 97.7 24.2 1 36 20 2 -0.6 6.4 1 36 20 4 49.6 10.4 1 36 20 6 28.1 5.9 1 36 20 8 8.1 5.4 1 36 20 10 5.7 5.2 1 36 20 12 345.8 19.5 1 36 22 6 25.1 13.3 1 36 22 8 25.6 8.0 1 37 1 1 46.8 1.8 1 37 1 3 369.7 4.5 1 37 1 5 39.0 1.9 1 37 1 7 17.1 1.8 1 37 1 9 398.6 4.6 1 37 1 11 24.7 1.9 1 37 1 13 2.5 1.8 1 37 1 15 40.7 2.8 1 37 1 17 15.4 3.9 1 37 3 1 370.7 4.4 1 37 3 3 74.8 2.1 1 37 3 5 385.3 4.5 1 37 3 7 242.2 3.4 1 37 3 9 38.0 1.9 1 37 3 11 218.0 3.5 1 37 3 13 45.0 2.0 1 37 3 15 78.8 3.1 1 37 3 17 6.0 4.2 1 37 3 19 66.3 11.4 1 37 5 1 37.3 1.8 1 37 5 3 380.3 4.7 1 37 5 5 41.0 1.9 1 37 5 7 29.2 1.8 1 37 5 9 77.9 2.1 1 37 5 11 3.6 1.7 1 37 5 13 64.8 2.5 1 37 5 15 29.6 3.0 1 37 5 17 15.5 4.3 1 37 5 19 156.6 12.7 1 37 7 1 13.5 1.7 1 37 7 3 249.4 3.5 1 37 7 5 29.5 1.8 1 37 7 7 21.0 1.7 1 37 7 9 73.1 2.3 1 37 7 11 44.1 2.0 1 37 7 13 3.2 2.3 1 37 7 15 102.1 4.1 1 37 7 17 15.3 3.7 1 37 7 19 155.0 11.1 1 37 9 1 403.0 4.7 1 37 9 3 41.4 1.8 1 37 9 5 79.0 2.3 1 37 9 7 70.2 2.2 1 37 9 9 2.3 1.7 1 37 9 11 408.5 5.7 1 37 9 13 121.5 3.7 1 37 9 15 108.2 4.3 1 37 9 17 380.0 9.8 1 37 9 19 6.2 5.0 1 37 11 1 25.0 1.7 1 37 11 3 228.6 3.5 1 37 11 5 4.9 1.6 1 37 11 7 42.4 2.3 1 37 11 9 403.6 5.9 1 37 11 11 0.0 2.7 1 37 11 13 18.2 2.5 1 37 11 15 104.9 4.7 1 37 11 17 6.0 3.8 1 37 11 19 186.7 11.8 1 37 13 1 4.1 1.6 1 37 13 3 45.1 2.0 1 37 13 5 65.6 2.5 1 37 13 7 1.0 2.1 1 37 13 9 114.1 3.9 1 37 13 11 20.0 2.8 1 37 13 13 61.4 3.8 1 37 13 15 1.2 3.9 1 37 13 17 30.4 5.7 1 37 15 1 38.2 2.6 1 37 15 3 77.0 2.9 1 37 15 5 28.9 2.8 1 37 15 7 105.4 4.1 1 37 15 9 105.4 4.4 1 37 15 11 102.9 4.5 1 37 15 13 -0.7 4.4 1 37 15 15 15.0 5.6 1 37 17 1 14.0 5.3 1 37 17 3 8.1 4.7 1 37 17 5 14.4 4.3 1 37 17 7 13.9 4.4 1 37 17 9 398.3 10.6 1 37 17 11 7.8 4.6 1 37 17 13 30.3 5.6 1 37 19 3 65.0 10.2 1 37 19 5 152.7 10.3 1 37 19 7 183.0 10.5 1 37 19 9 8.6 5.7 1 37 19 11 187.3 13.8 1 38 0 0 3.1 2.4 1 38 0 2 106.6 2.4 1 38 0 4 -1.3 1.7 1 38 0 6 97.9 2.3 1 38 0 8 -0.7 1.7 1 38 0 10 34.4 2.0 1 38 0 12 0.8 1.8 1 38 0 14 6.1 2.7 1 38 0 16 -0.5 5.0 1 38 2 0 108.2 2.4 1 38 2 2 302.0 3.9 1 38 2 4 102.1 2.3 1 38 2 6 1.5 1.7 1 38 2 8 118.9 2.5 1 38 2 10 90.3 2.5 1 38 2 12 4.0 1.8 1 38 2 14 49.4 3.6 1 38 2 16 42.4 7.5 1 38 4 0 1.5 1.6 1 38 4 2 96.8 2.4 1 38 4 4 60.8 2.1 1 38 4 6 113.4 2.5 1 38 4 8 52.4 2.2 1 38 4 10 26.4 1.9 1 38 4 12 24.1 2.3 1 38 4 14 173.7 4.9 1 38 4 16 32.8 5.9 1 38 4 18 33.5 8.1 1 38 6 0 95.6 2.5 1 38 6 2 0.5 1.6 1 38 6 4 108.1 2.4 1 38 6 6 6.0 1.7 1 38 6 8 47.2 2.2 1 38 6 10 4.9 1.9 1 38 6 12 64.0 2.7 1 38 6 14 2.9 3.3 1 38 6 16 676.9 18.3 1 38 6 18 -4.4 8.7 1 38 8 0 1.1 1.6 1 38 8 2 113.1 2.6 1 38 8 4 52.3 2.0 1 38 8 6 51.8 2.1 1 38 8 8 26.7 2.1 1 38 8 10 16.4 2.5 1 38 8 12 1.3 2.6 1 38 8 14 106.6 5.1 1 38 8 16 8.5 4.7 1 38 8 18 205.8 12.1 1 38 10 0 34.1 1.9 1 38 10 2 95.7 2.3 1 38 10 4 24.3 1.8 1 38 10 6 5.9 1.9 1 38 10 8 14.1 2.1 1 38 10 10 109.6 3.5 1 38 10 12 36.2 3.2 1 38 10 14 114.0 4.5 1 38 10 16 41.6 6.5 1 38 12 0 -0.4 1.7 1 38 12 2 4.0 1.8 1 38 12 4 22.7 2.2 1 38 12 6 69.7 2.8 1 38 12 8 0.2 2.6 1 38 12 10 34.9 3.0 1 38 12 12 9.4 3.9 1 38 12 14 17.0 4.0 1 38 12 16 10.6 5.9 1 38 14 0 5.5 2.7 1 38 14 2 51.2 3.1 1 38 14 4 192.1 5.7 1 38 14 6 -1.8 3.0 1 38 14 8 107.7 4.8 1 38 14 10 123.0 5.2 1 38 14 12 16.9 4.9 1 38 14 14 14.1 5.0 1 38 16 0 -1.6 4.3 1 38 16 2 50.0 6.3 1 38 16 4 22.2 5.1 1 38 16 6 662.1 19.2 1 38 16 8 7.9 5.7 1 38 16 10 36.2 5.8 1 38 16 12 13.6 7.9 1 38 18 4 32.7 8.7 1 38 18 6 10.8 7.9 1 38 18 8 209.6 16.0 1 39 1 1 14.5 1.9 1 39 1 3 84.1 2.2 1 39 1 5 71.0 2.2 1 39 1 7 11.9 1.8 1 39 1 9 78.3 2.5 1 39 1 11 10.6 2.3 1 39 1 13 6.5 3.0 1 39 1 15 24.6 13.2 1 39 3 1 90.7 2.4 1 39 3 3 15.8 1.9 1 39 3 5 1.0 1.7 1 39 3 7 105.2 2.6 1 39 3 9 54.7 2.1 1 39 3 11 -0.4 2.5 1 39 3 13 241.9 7.1 1 39 3 15 68.0 8.7 1 39 5 1 72.3 2.3 1 39 5 3 2.6 1.8 1 39 5 5 1217.5 11.0 1 39 5 7 446.1 5.1 1 39 5 9 101.2 3.0 1 39 5 11 68.6 3.1 1 39 5 13 2.1 3.8 1 39 5 15 97.9 8.8 1 39 5 17 945.9 36.9 1 39 7 1 11.8 1.8 1 39 7 3 108.1 2.6 1 39 7 5 450.4 5.6 1 39 7 7 198.5 3.7 1 39 7 9 149.0 3.4 1 39 7 11 123.7 4.1 1 39 7 13 17.2 3.7 1 39 7 15 1.4 4.9 1 39 7 17 260.3 14.8 1 39 9 1 84.1 2.4 1 39 9 3 55.8 2.4 1 39 9 5 111.1 2.9 1 39 9 7 150.7 3.5 1 39 9 9 30.3 3.1 1 39 9 11 5.3 3.1 1 39 9 13 151.3 5.3 1 39 9 15 11.8 5.8 1 39 11 1 11.9 2.3 1 39 11 3 1.2 2.2 1 39 11 5 71.4 3.8 1 39 11 7 115.1 4.2 1 39 11 9 7.8 3.0 1 39 11 11 -0.8 3.3 1 39 11 13 9.7 4.1 1 39 11 15 5.4 6.3 1 39 13 1 3.1 3.3 1 39 13 3 271.0 8.1 1 39 13 5 5.1 3.8 1 39 13 7 16.4 3.8 1 39 13 9 148.9 6.3 1 39 13 11 12.3 4.3 1 39 13 13 5.4 5.4 1 39 15 1 30.0 8.3 1 39 15 3 60.4 9.2 1 39 15 5 104.7 7.2 1 39 15 7 4.6 5.9 1 39 15 9 4.6 7.6 1 39 15 11 -9.1 8.1 1 39 17 5 905.9 71.4 1 39 17 7 269.6 13.3 1 40 0 0 643.9 9.5 1 40 0 2 1.6 1.8 1 40 0 4 170.4 3.0 1 40 0 6 0.1 1.9 1 40 0 8 32.5 2.5 1 40 0 10 3.3 2.8 1 40 0 12 4.1 7.9 1 40 2 0 0.7 1.9 1 40 2 2 141.1 2.9 1 40 2 4 65.1 2.3 1 40 2 6 25.8 2.1 1 40 2 8 21.5 2.6 1 40 2 10 46.9 3.6 1 40 2 12 39.1 5.3 1 40 2 14 0.0 0.0 1 40 4 0 164.0 3.1 1 40 4 2 67.1 2.3 1 40 4 4 15.7 2.0 1 40 4 6 4.2 2.2 1 40 4 8 88.4 2.9 1 40 4 10 8.9 3.6 1 40 4 12 19.1 4.6 1 40 4 14 17.5 7.1 1 40 6 0 1.0 1.7 1 40 6 2 25.1 2.0 1 40 6 4 3.6 2.2 1 40 6 6 2689.8 27.6 1 40 6 8 4.5 2.3 1 40 6 10 18.8 3.6 1 40 6 12 -0.9 3.6 1 40 6 14 0.4 7.0 1 40 8 0 33.9 2.4 1 40 8 2 20.3 2.3 1 40 8 4 89.3 2.9 1 40 8 6 5.8 2.6 1 40 8 8 484.0 8.0 1 40 8 10 19.2 3.0 1 40 8 12 5.1 4.4 1 40 8 14 104.7 8.0 1 40 10 0 -1.1 2.7 1 40 10 2 49.3 3.5 1 40 10 4 8.9 2.8 1 40 10 6 19.2 3.1 1 40 10 8 20.4 3.3 1 40 10 10 51.3 4.3 1 40 10 12 -3.4 6.9 1 40 12 0 2.5 4.7 1 40 12 2 37.3 4.7 1 40 12 4 25.9 4.2 1 40 12 6 2.8 4.5 1 40 12 8 7.4 4.2 1 40 12 10 7.1 5.7 1 40 14 2 0.0 0.0 1 40 14 4 14.2 7.7 1 40 14 6 9.2 7.2 1 40 14 8 112.1 10.8 1 41 1 1 62.2 2.5 1 41 1 3 92.4 2.7 1 41 1 5 9.4 2.1 1 41 1 7 20.4 3.0 1 41 1 9 22.9 3.1 1 41 1 11 3.7 8.9 1 41 3 1 94.7 2.7 1 41 3 3 161.4 3.4 1 41 3 5 154.0 3.7 1 41 3 7 77.6 3.4 1 41 3 9 66.7 5.2 1 41 3 11 32.5 9.7 1 41 5 1 10.7 2.2 1 41 5 3 150.7 3.5 1 41 5 5 284.4 5.0 1 41 5 7 85.3 4.1 1 41 5 9 17.5 4.1 1 41 5 11 77.1 5.9 1 41 5 13 17.6 12.4 1 41 7 1 21.3 3.2 1 41 7 3 85.6 3.3 1 41 7 5 85.1 3.8 1 41 7 7 10.2 3.9 1 41 7 9 62.8 6.1 1 41 7 11 40.0 6.3 1 41 9 1 20.3 3.8 1 41 9 3 68.7 5.1 1 41 9 5 19.0 4.3 1 41 9 7 52.5 6.7 1 41 9 9 53.4 6.1 1 41 11 1 13.6 6.6 1 41 11 3 31.5 7.4 1 41 11 5 76.4 5.7 1 41 11 7 39.1 5.2 1 41 13 5 39.6 14.9 1 42 0 0 2.3 2.8 1 42 0 2 126.3 3.2 1 42 0 4 -0.4 2.9 1 42 0 6 49.6 3.5 1 42 0 8 -0.9 8.0 1 42 2 0 124.6 3.1 1 42 2 2 13.5 2.5 1 42 2 4 22.8 3.0 1 42 2 6 1.1 3.0 1 42 2 8 -0.3 3.8 1 42 4 0 0.4 3.1 1 42 4 2 27.3 3.0 1 42 4 4 122.7 3.9 1 42 4 6 82.6 5.7 1 42 4 8 9.3 3.9 1 42 4 10 13.7 13.7 1 42 6 0 48.9 3.9 1 42 6 2 3.1 3.2 1 42 6 4 84.2 5.2 1 42 6 8 79.9 8.7 1 42 8 0 6.4 11.5 1 42 8 2 4.0 4.3 1 42 8 4 4.2 5.1 1 42 8 6 75.6 10.4 1 42 10 4 15.4 8.2 1 43 1 1 3.3 5.1 1 43 1 3 118.5 4.9 1 43 1 5 10.8 5.4 1 43 3 1 118.4 5.3 1 43 3 3 0.0 0.0 1 43 5 1 12.0 5.6 1 0 0 0 0.0 0.0 ; _shelx_hkl_checksum 89833 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+3/4, -y+1/4, z+1/2' '-x+1/4, y+1/2, -z+3/4' 'x+1/2, -y+3/4, -z+1/4' 'z, x, y' 'z+1/2, -x+3/4, -y+1/4' '-z+3/4, -x+1/4, y+1/2' '-z+1/4, x+1/2, -y+3/4' 'y, z, x' '-y+1/4, z+1/2, -x+3/4' 'y+1/2, -z+3/4, -x+1/4' '-y+3/4, -z+1/4, x+1/2' 'y+3/4, x+1/4, -z+1/2' '-y, -x, -z' 'y+1/4, -x+1/2, z+3/4' '-y+1/2, x+3/4, z+1/4' 'x+3/4, z+1/4, -y+1/2' '-x+1/2, z+3/4, y+1/4' '-x, -z, -y' 'x+1/4, -z+1/2, y+3/4' 'z+3/4, y+1/4, -x+1/2' 'z+1/4, -y+1/2, x+3/4' '-z+1/2, y+3/4, x+1/4' '-z, -y, -x' 'x, y+1/2, z+1/2' '-x+3/4, -y+3/4, z+1' '-x+1/4, y+1, -z+5/4' 'x+1/2, -y+5/4, -z+3/4' 'z, x+1/2, y+1/2' 'z+1/2, -x+5/4, -y+3/4' '-z+3/4, -x+3/4, y+1' '-z+1/4, x+1, -y+5/4' 'y, z+1/2, x+1/2' '-y+1/4, z+1, -x+5/4' 'y+1/2, -z+5/4, -x+3/4' '-y+3/4, -z+3/4, x+1' 'y+3/4, x+3/4, -z+1' '-y, -x+1/2, -z+1/2' 'y+1/4, -x+1, z+5/4' '-y+1/2, x+5/4, z+3/4' 'x+3/4, z+3/4, -y+1' '-x+1/2, z+5/4, y+3/4' '-x, -z+1/2, -y+1/2' 'x+1/4, -z+1, y+5/4' 'z+3/4, y+3/4, -x+1' 'z+1/4, -y+1, x+5/4' '-z+1/2, y+5/4, x+3/4' '-z, -y+1/2, -x+1/2' 'x+1/2, y, z+1/2' '-x+5/4, -y+1/4, z+1' '-x+3/4, y+1/2, -z+5/4' 'x+1, -y+3/4, -z+3/4' 'z+1/2, x, y+1/2' 'z+1, -x+3/4, -y+3/4' '-z+5/4, -x+1/4, y+1' '-z+3/4, x+1/2, -y+5/4' 'y+1/2, z, x+1/2' '-y+3/4, z+1/2, -x+5/4' 'y+1, -z+3/4, -x+3/4' '-y+5/4, -z+1/4, x+1' 'y+5/4, x+1/4, -z+1' '-y+1/2, -x, -z+1/2' 'y+3/4, -x+1/2, z+5/4' '-y+1, x+3/4, z+3/4' 'x+5/4, z+1/4, -y+1' '-x+1, z+3/4, y+3/4' '-x+1/2, -z, -y+1/2' 'x+3/4, -z+1/2, y+5/4' 'z+5/4, y+1/4, -x+1' 'z+3/4, -y+1/2, x+5/4' '-z+1, y+3/4, x+3/4' '-z+1/2, -y, -x+1/2' 'x+1/2, y+1/2, z' '-x+5/4, -y+3/4, z+1/2' '-x+3/4, y+1, -z+3/4' 'x+1, -y+5/4, -z+1/4' 'z+1/2, x+1/2, y' 'z+1, -x+5/4, -y+1/4' '-z+5/4, -x+3/4, y+1/2' '-z+3/4, x+1, -y+3/4' 'y+1/2, z+1/2, x' '-y+3/4, z+1, -x+3/4' 'y+1, -z+5/4, -x+1/4' '-y+5/4, -z+3/4, x+1/2' 'y+5/4, x+3/4, -z+1/2' '-y+1/2, -x+1/2, -z' 'y+3/4, -x+1, z+3/4' '-y+1, x+5/4, z+1/4' 'x+5/4, z+3/4, -y+1/2' '-x+1, z+5/4, y+1/4' '-x+1/2, -z+1/2, -y' 'x+3/4, -z+1, y+3/4' 'z+5/4, y+3/4, -x+1/2' 'z+3/4, -y+1, x+3/4' '-z+1, y+5/4, x+1/4' '-z+1/2, -y+1/2, -x' '-x, -y, -z' 'x-3/4, y-1/4, -z-1/2' 'x-1/4, -y-1/2, z-3/4' '-x-1/2, y-3/4, z-1/4' '-z, -x, -y' '-z-1/2, x-3/4, y-1/4' 'z-3/4, x-1/4, -y-1/2' 'z-1/4, -x-1/2, y-3/4' '-y, -z, -x' 'y-1/4, -z-1/2, x-3/4' '-y-1/2, z-3/4, x-1/4' 'y-3/4, z-1/4, -x-1/2' '-y-3/4, -x-1/4, z-1/2' 'y, x, z' '-y-1/4, x-1/2, -z-3/4' 'y-1/2, -x-3/4, -z-1/4' '-x-3/4, -z-1/4, y-1/2' 'x-1/2, -z-3/4, -y-1/4' 'x, z, y' '-x-1/4, z-1/2, -y-3/4' '-z-3/4, -y-1/4, x-1/2' '-z-1/4, y-1/2, -x-3/4' 'z-1/2, -y-3/4, -x-1/4' 'z, y, x' '-x, -y+1/2, -z+1/2' 'x-3/4, y+1/4, -z' 'x-1/4, -y, z-1/4' '-x-1/2, y-1/4, z+1/4' '-z, -x+1/2, -y+1/2' '-z-1/2, x-1/4, y+1/4' 'z-3/4, x+1/4, -y' 'z-1/4, -x, y-1/4' '-y, -z+1/2, -x+1/2' 'y-1/4, -z, x-1/4' '-y-1/2, z-1/4, x+1/4' 'y-3/4, z+1/4, -x' '-y-3/4, -x+1/4, z' 'y, x+1/2, z+1/2' '-y-1/4, x, -z-1/4' 'y-1/2, -x-1/4, -z+1/4' '-x-3/4, -z+1/4, y' 'x-1/2, -z-1/4, -y+1/4' 'x, z+1/2, y+1/2' '-x-1/4, z, -y-1/4' '-z-3/4, -y+1/4, x' '-z-1/4, y, -x-1/4' 'z-1/2, -y-1/4, -x+1/4' 'z, y+1/2, x+1/2' '-x+1/2, -y, -z+1/2' 'x-1/4, y-1/4, -z' 'x+1/4, -y-1/2, z-1/4' '-x, y-3/4, z+1/4' '-z+1/2, -x, -y+1/2' '-z, x-3/4, y+1/4' 'z-1/4, x-1/4, -y' 'z+1/4, -x-1/2, y-1/4' '-y+1/2, -z, -x+1/2' 'y+1/4, -z-1/2, x-1/4' '-y, z-3/4, x+1/4' 'y-1/4, z-1/4, -x' '-y-1/4, -x-1/4, z' 'y+1/2, x, z+1/2' '-y+1/4, x-1/2, -z-1/4' 'y, -x-3/4, -z+1/4' '-x-1/4, -z-1/4, y' 'x, -z-3/4, -y+1/4' 'x+1/2, z, y+1/2' '-x+1/4, z-1/2, -y-1/4' '-z-1/4, -y-1/4, x' '-z+1/4, y-1/2, -x-1/4' 'z, -y-3/4, -x+1/4' 'z+1/2, y, x+1/2' '-x+1/2, -y+1/2, -z' 'x-1/4, y+1/4, -z-1/2' 'x+1/4, -y, z-3/4' '-x, y-1/4, z-1/4' '-z+1/2, -x+1/2, -y' '-z, x-1/4, y-1/4' 'z-1/4, x+1/4, -y-1/2' 'z+1/4, -x, y-3/4' '-y+1/2, -z+1/2, -x' 'y+1/4, -z, x-3/4' '-y, z-1/4, x-1/4' 'y-1/4, z+1/4, -x-1/2' '-y-1/4, -x+1/4, z-1/2' 'y+1/2, x+1/2, z' '-y+1/4, x, -z-3/4' 'y, -x-1/4, -z-1/4' '-x-1/4, -z+1/4, y-1/2' 'x, -z-1/4, -y-1/4' 'x+1/2, z+1/2, y' '-x+1/4, z, -y-3/4' '-z-1/4, -y+1/4, x-1/2' '-z+1/4, y, -x-3/4' 'z, -y-1/4, -x-1/4' 'z+1/2, y+1/2, x' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Si Si -0.05234(2) 0.12388(2) 0.03646(2) 0.00896(12) Uani 1 1 d . . . . . O1 O -0.10311(7) 0.000000 0.10311(7) 0.0358(6) Uani 1 2 d S T P . . O2A O 0.00324(18) 0.00324(18) 0.1506(3) 0.0124(9) Uani 0.5507 2 d S T P . . O2B O -0.0057(2) -0.0057(2) 0.1432(4) 0.0140(12) Uani 0.4493 2 d S T P . . O3A O -0.0311(8) 0.0602(4) 0.0602(4) 0.011(2) Uani 0.157(3) 2 d S T P . . O3B O -0.02496(18) 0.07126(10) 0.07126(10) 0.0210(6) Uani 0.843(3) 2 d S T P . . O4 O 0.07916(6) 0.07916(6) 0.31986(8) 0.0196(4) Uani 1 2 d S T P . . Zn1 Zn 0.000000 0.000000 0.000000 0.0316(15) Uani 0.157(3) 12 d S T P . . Zn1P Zn 0.04031(5) 0.04031(5) 0.04031(5) 0.0175(4) Uani 0.340(2) 6 d S T P . . Zn1' Zn 0.05871(8) 0.05871(8) 0.05871(8) 0.0170(7) Uani 0.164(2) 6 d S T P . . Zn2' Zn 0.20100(8) 0.20100(8) 0.20100(8) 0.0112(7) Uani 0.164(2) 6 d S T P . . Zn2P Zn 0.21837(4) 0.21837(4) 0.21837(4) 0.0096(4) Uani 0.309(3) 6 d S T . . . Zn2 Zn 0.2435(2) 0.2435(2) 0.2435(2) 0.027(2) Uani 0.074(3) 6 d S T . . . O5 O 0.1327(16) 0.1656(11) 0.1656(11) 0.027(7) Uiso 0.0547(8) 2 d S . P . . 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 Si 0.01125(18) 0.00780(17) 0.00783(17) -0.00137(11) 0.00052(12) -0.00082(12) O1 0.0324(7) 0.0425(14) 0.0324(7) -0.0207(8) 0.0032(9) -0.0207(8) O2A 0.0124(13) 0.0124(13) 0.012(2) -0.0035(10) -0.0035(10) 0.0011(14) O2B 0.0147(19) 0.0147(19) 0.013(3) 0.0016(15) 0.0016(15) 0.007(2) O3A 0.014(5) 0.009(3) 0.009(3) 0.000(4) 0.001(3) 0.001(3) O3B 0.0319(17) 0.0155(8) 0.0155(8) 0.0045(10) 0.0053(10) 0.0053(10) O4 0.0189(5) 0.0189(5) 0.0209(8) -0.0034(5) -0.0034(5) 0.0090(6) Zn1 0.0316(15) 0.0316(15) 0.0316(15) 0.0034(15) 0.0034(15) 0.0034(15) Zn1P 0.0175(4) 0.0175(4) 0.0175(4) 0.0092(4) 0.0092(4) 0.0092(4) Zn1' 0.0170(7) 0.0170(7) 0.0170(7) -0.0032(6) -0.0032(6) -0.0032(6) Zn2' 0.0112(7) 0.0112(7) 0.0112(7) 0.0012(6) 0.0012(6) 0.0012(6) Zn2P 0.0096(4) 0.0096(4) 0.0096(4) 0.0031(3) 0.0031(3) 0.0031(3) Zn2 0.027(2) 0.027(2) 0.027(2) 0.007(2) 0.007(2) 0.007(2) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source O O 0.0100 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Si Si 0.0800 0.0690 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn 0.2940 1.3980 '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 _geom_angle_publ_flag O2B Si O4 113.3(3) 9 55_454 ? O2B Si O1 106.5(3) 9 101 ? O4 Si O1 112.26(11) 55_454 101 ? O2B Si O3B 105.4(4) 9 . ? O4 Si O3B 108.87(14) 55_454 . ? O1 Si O3B 110.24(14) 101 . ? O2B Si O2A 11.8(3) 9 9 ? O4 Si O2A 104.24(19) 55_454 9 ? O1 Si O2A 117.97(18) 101 9 ? O3B Si O2A 102.5(3) . 9 ? O2B Si O3A 105.3(7) 9 . ? O4 Si O3A 120.1(4) 55_454 . ? O1 Si O3A 97.6(5) 101 . ? O3B Si O3A 13.7(4) . . ? O2A Si O3A 105.3(6) 9 . ? O2B Si Zn1P 71.9(3) 9 . ? O4 Si Zn1P 130.90(8) 55_454 . ? O1 Si Zn1P 112.23(10) 101 . ? O3B Si Zn1P 34.58(13) . . ? O2A Si Zn1P 71.5(3) 9 . ? O3A Si Zn1P 33.9(6) . . ? O2B Si Zn2P 44.4(2) 9 27_544 ? O4 Si Zn2P 70.64(7) 55_454 27_544 ? O1 Si Zn2P 136.56(5) 101 27_544 ? O3B Si Zn2P 109.05(14) . 27_544 ? O2A Si Zn2P 33.91(16) 9 27_544 ? O3A Si Zn2P 118.9(6) . 27_544 ? Zn1P Si Zn2P 90.48(4) . 27_544 ? O2B Si Zn2' 47.5(2) 9 27_544 ? O4 Si Zn2' 73.58(7) 55_454 27_544 ? O1 Si Zn2' 148.74(6) 101 27_544 ? O3B Si Zn2' 95.50(15) . 27_544 ? O2A Si Zn2' 35.73(14) 9 27_544 ? O3A Si Zn2' 105.7(6) . 27_544 ? Zn1P Si Zn2' 79.18(6) . 27_544 ? Zn2P Si Zn2' 13.57(6) 27_544 27_544 ? O2B Si Zn1' 69.7(3) 9 . ? O4 Si Zn1' 118.11(9) 55_454 . ? O1 Si Zn1' 126.32(11) 101 . ? O3B Si Zn1' 36.28(14) . . ? O2A Si Zn1' 66.3(3) 9 . ? O3A Si Zn1' 40.9(6) . . ? Zn1P Si Zn1' 14.10(6) . . ? Zn2P Si Zn1' 79.32(6) 27_544 . ? Zn2' Si Zn1' 67.08(8) 27_544 . ? O2B Si Zn2 45.3(3) 9 27_544 ? O4 Si Zn2 68.42(7) 55_454 27_544 ? O1 Si Zn2 119.09(17) 101 27_544 ? O3B Si Zn2 127.6(2) . 27_544 ? O2A Si Zn2 38.7(3) 9 27_544 ? O3A Si Zn2 136.7(6) . 27_544 ? Zn1P Si Zn2 105.87(14) . 27_544 ? Zn2P Si Zn2 18.56(17) 27_544 27_544 ? Zn2' Si Zn2 32.14(18) 27_544 27_544 ? Zn1' Si Zn2 96.22(16) . 27_544 ? O2B Si Zn1 80.0(3) 9 . ? O4 Si Zn1 154.65(8) 55_454 . ? O1 Si Zn1 82.20(9) 101 . ? O3B Si Zn1 45.79(11) . . ? O2A Si Zn1 85.3(2) 9 . ? O3A Si Zn1 34.9(4) . . ? Zn1P Si Zn1 30.02(4) . . ? Zn2P Si Zn1 113.87(2) 27_544 . ? Zn2' Si Zn1 105.30(4) 27_544 . ? Zn1' Si Zn1 44.12(6) . . ? Zn2 Si Zn1 124.01(8) 27_544 . ? Si O1 Si 142.43(17) 115 105 ? Si O2A Si 127.4(3) 115 5 ? Si O2A Zn2P 116.26(16) 115 50_454 ? Si O2A Zn2P 116.36(16) 5 50_454 ? Si O2A Zn2' 114.27(15) 115 50_454 ? Si O2A Zn2' 114.39(15) 5 50_454 ? Zn2P O2A Zn2' 21.45(10) 50_454 50_454 ? Si O2A Zn2 113.1(3) 115 50_454 ? Si O2A Zn2 113.2(3) 5 50_454 ? Zn2P O2A Zn2 27.9(2) 50_454 50_454 ? Zn2' O2A Zn2 49.3(3) 50_454 50_454 ? Si O2A Zn1' 81.7(3) 115 . ? Si O2A Zn1' 81.7(3) 5 . ? Zn2P O2A Zn1' 108.8(3) 50_454 . ? Zn2' O2A Zn1' 87.3(3) 50_454 . ? Zn2 O2A Zn1' 136.7(3) 50_454 . ? Si O2A Zn1P 75.6(3) 115 . ? Si O2A Zn1P 75.6(3) 5 . ? Zn2P O2A Zn1P 123.9(3) 50_454 . ? Zn2' O2A Zn1P 102.4(3) 50_454 . ? Zn2 O2A Zn1P 151.7(3) 50_454 . ? Zn1' O2A Zn1P 15.06(8) . . ? Si O2B Si 145.3(6) 115 5 ? Si O2B Zn2P 105.7(2) 115 50_454 ? Si O2B Zn2P 105.5(2) 5 50_454 ? Si O2B Zn2' 102.5(2) 115 50_454 ? Si O2B Zn2' 102.3(2) 5 50_454 ? Zn2P O2B Zn2' 18.17(9) 50_454 50_454 ? Si O2B Zn2 107.4(3) 115 50_454 ? Si O2B Zn2 107.2(3) 5 50_454 ? Zn2P O2B Zn2 25.4(2) 50_454 50_454 ? Zn2' O2B Zn2 43.5(3) 50_454 50_454 ? Si O2B Zn1P 77.2(3) 115 . ? Si O2B Zn1P 77.1(3) 5 . ? Zn2P O2B Zn1P 112.6(3) 50_454 . ? Zn2' O2B Zn1P 94.5(3) 50_454 . ? Zn2 O2B Zn1P 138.0(4) 50_454 . ? Si O2B Zn1' 80.6(4) 115 . ? Si O2B Zn1' 80.5(3) 5 . ? Zn2P O2B Zn1' 97.8(3) 50_454 . ? Zn2' O2B Zn1' 79.6(3) 50_454 . ? Zn2 O2B Zn1' 123.1(3) 50_454 . ? Zn1P O2B Zn1' 14.85(8) . . ? Si O3A Si 120.5(10) . 115 ? Si O3A Zn1P 115.1(6) . . ? Si O3A Zn1P 114.9(6) 115 . ? Si O3A Zn1' 107.9(6) . . ? Si O3A Zn1' 107.8(6) 115 . ? Zn1P O3A Zn1' 20.2(2) . . ? Si O3A Zn1 118.4(4) . . ? Si O3A Zn1 118.3(4) 115 . ? Zn1P O3A Zn1 48.4(4) . . ? Zn1' O3A Zn1 68.6(5) . . ? Si O3B Si 128.0(3) . 115 ? Si O3B Zn1P 115.63(12) . . ? Si O3B Zn1P 115.65(12) 115 . ? Si O3B Zn1' 115.30(14) . . ? Si O3B Zn1' 115.32(14) 115 . ? Zn1P O3B Zn1' 21.88(10) . . ? Si O3B Zn1 105.86(12) . . ? Si O3B Zn1 105.88(12) 115 . ? Zn1P O3B Zn1 42.26(9) . . ? Zn1' O3B Zn1 64.13(13) . . ? Si O4 Si 148.67(14) 167_565 34_544 ? Si O4 Zn2P 78.67(7) 167_565 50_454 ? Si O4 Zn2P 78.66(7) 34_544 50_454 ? Si O4 Zn2' 76.40(7) 167_565 50_454 ? Si O4 Zn2' 76.41(7) 34_544 50_454 ? Zn2P O4 Zn2' 13.78(6) 50_454 50_454 ? Si O4 Zn2 83.01(8) 167_565 50_454 ? Si O4 Zn2 83.00(8) 34_544 50_454 ? Zn2P O4 Zn2 19.91(18) 50_454 50_454 ? Zn2' O4 Zn2 33.69(19) 50_454 50_454 ? Zn1P Zn1 Zn1P 180.0(2) 97 . ? Zn1P Zn1 O3A 55.4(4) 97 105 ? Zn1P Zn1 O3A 124.6(4) . 105 ? Zn1P Zn1 O3A 124.6(4) 97 9 ? Zn1P Zn1 O3A 55.4(4) . 9 ? O3A Zn1 O3A 180.0(13) 105 9 ? Zn1P Zn1 O3A 55.4(4) 97 101 ? Zn1P Zn1 O3A 124.6(4) . 101 ? O3A Zn1 O3A 90.9(6) 105 101 ? O3A Zn1 O3A 89.1(6) 9 101 ? Zn1P Zn1 O3A 124.6(4) 97 5 ? Zn1P Zn1 O3A 55.4(4) . 5 ? O3A Zn1 O3A 89.1(6) 105 5 ? O3A Zn1 O3A 90.9(6) 9 5 ? O3A Zn1 O3A 180.0(13) 101 5 ? Zn1P Zn1 O3A 55.3(4) 97 97 ? Zn1P Zn1 O3A 124.7(4) . 97 ? O3A Zn1 O3A 90.9(6) 105 97 ? O3A Zn1 O3A 89.1(6) 9 97 ? O3A Zn1 O3A 90.9(6) 101 97 ? O3A Zn1 O3A 89.1(6) 5 97 ? Zn1P Zn1 O3A 124.7(4) 97 . ? Zn1P Zn1 O3A 55.3(4) . . ? O3A Zn1 O3A 89.1(6) 105 . ? O3A Zn1 O3A 90.9(6) 9 . ? O3A Zn1 O3A 89.1(6) 101 . ? O3A Zn1 O3A 90.9(6) 5 . ? O3A Zn1 O3A 180.0(13) 97 . ? Zn1P Zn1 Zn1' 180.00(4) 97 . ? Zn1P Zn1 Zn1' 0.00(4) . . ? O3A Zn1 Zn1' 124.6(4) 105 . ? O3A Zn1 Zn1' 55.4(4) 9 . ? O3A Zn1 Zn1' 124.6(4) 101 . ? O3A Zn1 Zn1' 55.4(4) 5 . ? O3A Zn1 Zn1' 124.7(4) 97 . ? O3A Zn1 Zn1' 55.3(4) . . ? Zn1P Zn1 Zn1' 0.00(4) 97 97 ? Zn1P Zn1 Zn1' 180.00(4) . 97 ? O3A Zn1 Zn1' 55.4(4) 105 97 ? O3A Zn1 Zn1' 124.6(4) 9 97 ? O3A Zn1 Zn1' 55.4(4) 101 97 ? O3A Zn1 Zn1' 124.6(4) 5 97 ? O3A Zn1 Zn1' 55.3(4) 97 97 ? O3A Zn1 Zn1' 124.7(4) . 97 ? Zn1' Zn1 Zn1' 180.0(2) . 97 ? Zn1P Zn1 O3B 49.18(10) 97 105 ? Zn1P Zn1 O3B 130.82(10) . 105 ? O3A Zn1 O3B 6.2(5) 105 105 ? O3A Zn1 O3B 173.8(5) 9 105 ? O3A Zn1 O3B 86.6(3) 101 105 ? O3A Zn1 O3B 93.4(3) 5 105 ? O3A Zn1 O3B 86.5(3) 97 105 ? O3A Zn1 O3B 93.5(3) . 105 ? Zn1' Zn1 O3B 130.82(10) . 105 ? Zn1' Zn1 O3B 49.18(10) 97 105 ? Zn1P Zn1 O3B 130.82(10) 97 9 ? Zn1P Zn1 O3B 49.18(10) . 9 ? O3A Zn1 O3B 173.8(5) 105 9 ? O3A Zn1 O3B 6.2(5) 9 9 ? O3A Zn1 O3B 93.4(3) 101 9 ? O3A Zn1 O3B 86.6(3) 5 9 ? O3A Zn1 O3B 93.5(3) 97 9 ? O3A Zn1 O3B 86.5(3) . 9 ? Zn1' Zn1 O3B 49.18(10) . 9 ? Zn1' Zn1 O3B 130.82(10) 97 9 ? O3B Zn1 O3B 180.0(2) 105 9 ? Zn1' Zn1P Zn1 180.00(13) . . ? Zn1' Zn1P O3A 103.8(4) . 9 ? Zn1 Zn1P O3A 76.2(4) . 9 ? Zn1' Zn1P O3A 103.8(4) . 5 ? Zn1 Zn1P O3A 76.2(4) . 5 ? O3A Zn1P O3A 114.5(3) 9 5 ? Zn1' Zn1P O3A 103.8(4) . . ? Zn1 Zn1P O3A 76.2(4) . . ? O3A Zn1P O3A 114.5(3) 9 . ? O3A Zn1P O3A 114.5(3) 5 . ? Zn1' Zn1P O3B 91.44(13) . 9 ? Zn1 Zn1P O3B 88.57(13) . 9 ? O3A Zn1P O3B 12.4(4) 9 9 ? O3A Zn1P O3B 118.70(9) 5 9 ? O3A Zn1P O3B 118.60(9) . 9 ? Zn1' Zn1P O3B 91.44(13) . 5 ? Zn1 Zn1P O3B 88.57(13) . 5 ? O3A Zn1P O3B 118.58(9) 9 5 ? O3A Zn1P O3B 12.4(4) 5 5 ? O3A Zn1P O3B 118.72(9) . 5 ? O3B Zn1P O3B 119.924(11) 9 5 ? Zn1' Zn1P O3B 91.42(13) . . ? Zn1 Zn1P O3B 88.58(13) . . ? O3A Zn1P O3B 118.72(9) 9 . ? O3A Zn1P O3B 118.60(9) 5 . ? O3A Zn1P O3B 12.4(4) . . ? O3B Zn1P O3B 119.946(11) 9 . ? O3B Zn1P O3B 119.946(11) 5 . ? Zn1' Zn1P O5 20.8(8) . 60_454 ? Zn1 Zn1P O5 159.2(8) . 60_454 ? O3A Zn1P O5 124.6(9) 9 60_454 ? O3A Zn1P O5 92.8(6) 5 60_454 ? O3A Zn1P O5 93.0(6) . 60_454 ? O3B Zn1P O5 112.2(8) 9 60_454 ? O3B Zn1P O5 81.1(4) 5 60_454 ? O3B Zn1P O5 81.2(4) . 60_454 ? Zn1' Zn1P O5 20.8(8) . 32_544 ? Zn1 Zn1P O5 159.2(8) . 32_544 ? O3A Zn1P O5 93.0(6) 9 32_544 ? O3A Zn1P O5 124.6(9) 5 32_544 ? O3A Zn1P O5 92.8(6) . 32_544 ? O3B Zn1P O5 81.2(4) 9 32_544 ? O3B Zn1P O5 112.2(8) 5 32_544 ? O3B Zn1P O5 81.1(4) . 32_544 ? O5 Zn1P O5 35.8(14) 60_454 32_544 ? Zn1' Zn1P O5 20.8(8) . 76_445 ? Zn1 Zn1P O5 159.2(8) . 76_445 ? O3A Zn1P O5 92.8(6) 9 76_445 ? O3A Zn1P O5 93.0(6) 5 76_445 ? O3A Zn1P O5 124.6(9) . 76_445 ? O3B Zn1P O5 81.1(4) 9 76_445 ? O3B Zn1P O5 81.2(4) 5 76_445 ? O3B Zn1P O5 112.2(8) . 76_445 ? O5 Zn1P O5 35.8(14) 60_454 76_445 ? O5 Zn1P O5 35.8(14) 32_544 76_445 ? Zn1' Zn1P O2B 87.03(13) . 9 ? Zn1 Zn1P O2B 92.96(13) . 9 ? O3A Zn1P O2B 61.81(8) 9 9 ? O3A Zn1P O2B 169.2(4) 5 9 ? O3A Zn1P O2B 61.79(8) . 9 ? O3B Zn1P O2B 60.088(11) 9 9 ? O3B Zn1P O2B 178.5(2) 5 9 ? O3B Zn1P O2B 60.199(11) . 9 ? O5 Zn1P O2B 97.5(4) 60_454 9 ? O5 Zn1P O2B 66.3(8) 32_544 9 ? O5 Zn1P O2B 97.3(4) 76_445 9 ? Zn1P Zn1' O5 151.3(11) . 60_454 ? Zn1P Zn1' O5 151.3(11) . 32_544 ? O5 Zn1' O5 49.1(19) 60_454 32_544 ? Zn1P Zn1' O5 151.3(11) . 76_445 ? O5 Zn1' O5 49.1(19) 60_454 76_445 ? O5 Zn1' O5 49.1(19) 32_544 76_445 ? Zn1P Zn1' O3B 66.69(13) . 5 ? O5 Zn1' O3B 97.2(7) 60_454 5 ? O5 Zn1' O3B 142.0(11) 32_544 5 ? O5 Zn1' O3B 97.3(7) 76_445 5 ? Zn1P Zn1' O3B 66.69(13) . 9 ? O5 Zn1' O3B 142.0(11) 60_454 9 ? O5 Zn1' O3B 97.3(7) 32_544 9 ? O5 Zn1' O3B 97.2(7) 76_445 9 ? O3B Zn1' O3B 105.37(15) 5 9 ? Zn1P Zn1' O3B 66.71(13) . . ? O5 Zn1' O3B 97.3(7) 60_454 . ? O5 Zn1' O3B 97.2(7) 32_544 . ? O5 Zn1' O3B 142.0(11) 76_445 . ? O3B Zn1' O3B 105.39(15) 5 . ? O3B Zn1' O3B 105.39(15) 9 . ? Zn1P Zn1' O3A 56.1(4) . 9 ? O5 Zn1' O3A 152.6(12) 60_454 9 ? O5 Zn1' O3A 107.0(8) 32_544 9 ? O5 Zn1' O3A 106.8(8) 76_445 9 ? O3B Zn1' O3A 99.2(3) 5 9 ? O3B Zn1' O3A 10.6(3) 9 9 ? O3B Zn1' O3A 99.3(3) . 9 ? Zn1P Zn1' O3A 56.1(4) . 5 ? O5 Zn1' O3A 106.8(8) 60_454 5 ? O5 Zn1' O3A 152.6(12) 32_544 5 ? O5 Zn1' O3A 107.0(8) 76_445 5 ? O3B Zn1' O3A 10.6(3) 5 5 ? O3B Zn1' O3A 99.2(3) 9 5 ? O3B Zn1' O3A 99.2(3) . 5 ? O3A Zn1' O3A 91.8(5) 9 5 ? Zn1P Zn1' O3A 56.1(4) . . ? O5 Zn1' O3A 107.0(8) 60_454 . ? O5 Zn1' O3A 106.8(8) 32_544 . ? O5 Zn1' O3A 152.6(12) 76_445 . ? O3B Zn1' O3A 99.3(3) 5 . ? O3B Zn1' O3A 99.2(3) 9 . ? O3B Zn1' O3A 10.6(3) . . ? O3A Zn1' O3A 91.9(5) 9 . ? O3A Zn1' O3A 91.9(5) 5 . ? Zn1P Zn1' Zn1 0.0(3) . . ? O5 Zn1' Zn1 151.3(11) 60_454 . ? O5 Zn1' Zn1 151.3(11) 32_544 . ? O5 Zn1' Zn1 151.3(11) 76_445 . ? O3B Zn1' Zn1 66.69(13) 5 . ? O3B Zn1' Zn1 66.69(13) 9 . ? O3B Zn1' Zn1 66.70(13) . . ? O3A Zn1' Zn1 56.1(4) 9 . ? O3A Zn1' Zn1 56.1(4) 5 . ? O3A Zn1' Zn1 56.1(4) . . ? Zn1P Zn1' O2A 84.76(11) . 9 ? O5 Zn1' O2A 108.7(5) 60_454 9 ? O5 Zn1' O2A 66.6(11) 32_544 9 ? O5 Zn1' O2A 108.6(5) 76_445 9 ? O3B Zn1' O2A 151.5(2) 5 9 ? O3B Zn1' O2A 60.45(4) 9 9 ? O3B Zn1' O2A 60.42(4) . 9 ? O3A Zn1' O2A 62.41(10) 9 9 ? O3A Zn1' O2A 140.8(4) 5 9 ? O3A Zn1' O2A 62.29(10) . 9 ? Zn1 Zn1' O2A 84.76(11) . 9 ? Zn2P Zn2' Zn2 0.01(16) . . ? Zn2P Zn2' O2A 73.1(3) . 34_544 ? Zn2 Zn2' O2A 73.1(3) . 34_544 ? Zn2P Zn2' O2A 73.1(3) . 78_445 ? Zn2 Zn2' O2A 73.1(3) . 78_445 ? O2A Zn2' O2A 111.9(2) 34_544 78_445 ? Zn2P Zn2' O2A 73.1(3) . 50_454 ? Zn2 Zn2' O2A 73.1(3) . 50_454 ? O2A Zn2' O2A 111.9(2) 34_544 50_454 ? O2A Zn2' O2A 111.9(2) 78_445 50_454 ? Zn2P Zn2' O5 161.4(11) . . ? Zn2 Zn2' O5 161.4(11) . . ? O2A Zn2' O5 115.3(5) 34_544 . ? O2A Zn2' O5 88.3(11) 78_445 . ? O2A Zn2' O5 115.4(5) 50_454 . ? Zn2P Zn2' O5 161.4(11) . 5 ? Zn2 Zn2' O5 161.4(11) . 5 ? O2A Zn2' O5 88.3(11) 34_544 5 ? O2A Zn2' O5 115.4(5) 78_445 5 ? O2A Zn2' O5 115.3(5) 50_454 5 ? O5 Zn2' O5 32.1(18) . 5 ? Zn2P Zn2' O5 161.4(11) . 9 ? Zn2 Zn2' O5 161.4(11) . 9 ? O2A Zn2' O5 115.4(5) 34_544 9 ? O2A Zn2' O5 115.3(5) 78_445 9 ? O2A Zn2' O5 88.3(11) 50_454 9 ? O5 Zn2' O5 32.1(18) . 9 ? O5 Zn2' O5 32.1(18) 5 9 ? Zn2P Zn2' O2B 72.0(3) . 34_544 ? Zn2 Zn2' O2B 72.0(3) . 34_544 ? O2A Zn2' O2B 1.1(5) 34_544 34_544 ? O2A Zn2' O2B 111.35(9) 78_445 34_544 ? O2A Zn2' O2B 111.53(10) 50_454 34_544 ? O5 Zn2' O2B 116.3(5) . 34_544 ? O5 Zn2' O2B 89.4(11) 5 34_544 ? O5 Zn2' O2B 116.5(5) 9 34_544 ? Zn2P Zn2' O2B 72.0(3) . 78_445 ? Zn2 Zn2' O2B 72.0(3) . 78_445 ? O2A Zn2' O2B 111.51(10) 34_544 78_445 ? O2A Zn2' O2B 1.1(5) 78_445 78_445 ? O2A Zn2' O2B 111.35(9) 50_454 78_445 ? O5 Zn2' O2B 89.4(11) . 78_445 ? O5 Zn2' O2B 116.4(5) 5 78_445 ? O5 Zn2' O2B 116.3(5) 9 78_445 ? O2B Zn2' O2B 110.9(2) 34_544 78_445 ? Zn2P Zn2' O2B 72.0(3) . 50_454 ? Zn2 Zn2' O2B 72.0(3) . 50_454 ? O2A Zn2' O2B 111.37(9) 34_544 50_454 ? O2A Zn2' O2B 111.52(10) 78_445 50_454 ? O2A Zn2' O2B 1.1(5) 50_454 50_454 ? O5 Zn2' O2B 116.5(5) . 50_454 ? O5 Zn2' O2B 116.3(5) 5 50_454 ? O5 Zn2' O2B 89.4(11) 9 50_454 ? O2B Zn2' O2B 110.9(2) 34_544 50_454 ? O2B Zn2' O2B 110.9(2) 78_445 50_454 ? Zn2P Zn2' O4 74.45(7) . 50_454 ? Zn2 Zn2' O4 74.45(7) . 50_454 ? O2A Zn2' O4 57.43(4) 34_544 50_454 ? O2A Zn2' O4 57.36(4) 78_445 50_454 ? O2A Zn2' O4 147.6(3) 50_454 50_454 ? O5 Zn2' O4 95.7(6) . 50_454 ? O5 Zn2' O4 95.8(6) 5 50_454 ? O5 Zn2' O4 124.1(11) 9 50_454 ? O2B Zn2' O4 57.20(4) 34_544 50_454 ? O2B Zn2' O4 57.31(4) 78_445 50_454 ? O2B Zn2' O4 146.5(3) 50_454 50_454 ? Zn2' Zn2P Zn2 180.0(3) . . ? Zn2' Zn2P O2A 85.4(3) . 34_544 ? Zn2 Zn2P O2A 94.6(3) . 34_544 ? Zn2' Zn2P O2A 85.4(3) . 50_454 ? Zn2 Zn2P O2A 94.6(3) . 50_454 ? O2A Zn2P O2A 119.37(7) 34_544 50_454 ? Zn2' Zn2P O2A 85.5(3) . 78_445 ? Zn2 Zn2P O2A 94.6(3) . 78_445 ? O2A Zn2P O2A 119.37(7) 34_544 78_445 ? O2A Zn2P O2A 119.37(7) 50_454 78_445 ? Zn2' Zn2P O2B 89.8(3) . 34_544 ? Zn2 Zn2P O2B 90.2(3) . 34_544 ? O2A Zn2P O2B 4.4(5) 34_544 34_544 ? O2A Zn2P O2B 119.970(16) 50_454 34_544 ? O2A Zn2P O2B 119.781(16) 78_445 34_544 ? Zn2' Zn2P O2B 89.8(3) . 78_445 ? Zn2 Zn2P O2B 90.2(3) . 78_445 ? O2A Zn2P O2B 119.976(16) 34_544 78_445 ? O2A Zn2P O2B 119.781(16) 50_454 78_445 ? O2A Zn2P O2B 4.4(5) 78_445 78_445 ? O2B Zn2P O2B 120.001(3) 34_544 78_445 ? Zn2' Zn2P O2B 89.8(3) . 50_454 ? Zn2 Zn2P O2B 90.2(3) . 50_454 ? O2A Zn2P O2B 119.775(16) 34_544 50_454 ? O2A Zn2P O2B 4.4(5) 50_454 50_454 ? O2A Zn2P O2B 119.976(16) 78_445 50_454 ? O2B Zn2P O2B 119.995(4) 34_544 50_454 ? O2B Zn2P O2B 120.001(3) 78_445 50_454 ? Zn2' Zn2P O5 13.7(8) . 9 ? Zn2 Zn2P O5 166.3(8) . 9 ? O2A Zn2P O5 92.4(5) 34_544 9 ? O2A Zn2P O5 71.7(8) 50_454 9 ? O2A Zn2P O5 92.3(5) 78_445 9 ? O2B Zn2P O5 96.7(5) 34_544 9 ? O2B Zn2P O5 96.6(5) 78_445 9 ? O2B Zn2P O5 76.1(8) 50_454 9 ? Zn2' Zn2P O5 13.7(8) . 5 ? Zn2 Zn2P O5 166.3(8) . 5 ? O2A Zn2P O5 71.7(8) 34_544 5 ? O2A Zn2P O5 92.3(5) 50_454 5 ? O2A Zn2P O5 92.4(5) 78_445 5 ? O2B Zn2P O5 76.1(8) 34_544 5 ? O2B Zn2P O5 96.7(5) 78_445 5 ? O2B Zn2P O5 96.6(5) 50_454 5 ? O5 Zn2P O5 23.8(14) 9 5 ? Zn2' Zn2P O5 13.8(8) . . ? Zn2 Zn2P O5 166.2(8) . . ? O2A Zn2P O5 92.3(5) 34_544 . ? O2A Zn2P O5 92.4(5) 50_454 . ? O2A Zn2P O5 71.7(8) 78_445 . ? O2B Zn2P O5 96.6(5) 34_544 . ? O2B Zn2P O5 76.1(8) 78_445 . ? O2B Zn2P O5 96.7(5) 50_454 . ? O5 Zn2P O5 23.8(14) 9 . ? O5 Zn2P O5 23.8(14) 5 . ? Zn2' Zn2P O4 91.77(5) . 34_544 ? Zn2 Zn2P O4 88.24(5) . 34_544 ? O2A Zn2P O4 177.2(3) 34_544 34_544 ? O2A Zn2P O4 60.24(2) 50_454 34_544 ? O2A Zn2P O4 60.32(2) 78_445 34_544 ? O2B Zn2P O4 178.4(3) 34_544 34_544 ? O2B Zn2P O4 59.964(9) 78_445 34_544 ? O2B Zn2P O4 60.083(9) 50_454 34_544 ? O5 Zn2P O4 84.8(4) 9 34_544 ? O5 Zn2P O4 105.5(8) 5 34_544 ? O5 Zn2P O4 84.9(4) . 34_544 ? Zn2P Zn2 Zn2' 0.01(11) . . ? Zn2P Zn2 O2A 57.6(3) . 34_544 ? Zn2' Zn2 O2A 57.6(3) . 34_544 ? Zn2P Zn2 O2A 57.6(3) . 78_445 ? Zn2' Zn2 O2A 57.6(3) . 78_445 ? O2A Zn2 O2A 93.9(4) 34_544 78_445 ? Zn2P Zn2 O2A 57.6(3) . 50_454 ? Zn2' Zn2 O2A 57.6(3) . 50_454 ? O2A Zn2 O2A 93.9(4) 34_544 50_454 ? O2A Zn2 O2A 93.9(4) 78_445 50_454 ? Zn2P Zn2 O2B 64.4(3) . 78_445 ? Zn2' Zn2 O2B 64.4(3) . 78_445 ? O2A Zn2 O2B 98.7(3) 34_544 78_445 ? O2A Zn2 O2B 6.9(3) 78_445 78_445 ? O2A Zn2 O2B 98.5(3) 50_454 78_445 ? Zn2P Zn2 O2B 64.4(3) . 50_454 ? Zn2' Zn2 O2B 64.4(3) . 50_454 ? O2A Zn2 O2B 98.5(3) 34_544 50_454 ? O2A Zn2 O2B 98.6(3) 78_445 50_454 ? O2A Zn2 O2B 6.9(3) 50_454 50_454 ? O2B Zn2 O2B 102.7(3) 78_445 50_454 ? Zn2P Zn2 O2B 64.4(3) . 34_544 ? Zn2' Zn2 O2B 64.4(3) . 34_544 ? O2A Zn2 O2B 6.9(3) 34_544 34_544 ? O2A Zn2 O2B 98.5(3) 78_445 34_544 ? O2A Zn2 O2B 98.6(3) 50_454 34_544 ? O2B Zn2 O2B 102.7(3) 78_445 34_544 ? O2B Zn2 O2B 102.7(3) 50_454 34_544 ? Zn2P Zn2 O4 71.85(18) . 34_544 ? Zn2' Zn2 O4 71.85(18) . 34_544 ? O2A Zn2 O4 129.4(4) 34_544 34_544 ? O2A Zn2 O4 55.42(9) 78_445 34_544 ? O2A Zn2 O4 55.35(9) 50_454 34_544 ? O2B Zn2 O4 55.68(8) 78_445 34_544 ? O2B Zn2 O4 55.79(8) 50_454 34_544 ? O2B Zn2 O4 136.3(4) 34_544 34_544 ? Zn2P Zn2 O4 71.84(18) . 78_445 ? Zn2' Zn2 O4 71.83(18) . 78_445 ? O2A Zn2 O4 55.35(9) 34_544 78_445 ? O2A Zn2 O4 129.4(4) 78_445 78_445 ? O2A Zn2 O4 55.41(9) 50_454 78_445 ? O2B Zn2 O4 136.3(4) 78_445 78_445 ? O2B Zn2 O4 55.67(8) 50_454 78_445 ? O2B Zn2 O4 55.78(8) 34_544 78_445 ? O4 Zn2 O4 110.75(17) 34_544 78_445 ? Zn2P Zn2 O4 71.85(18) . 50_454 ? Zn2' Zn2 O4 71.85(18) . 50_454 ? O2A Zn2 O4 55.42(9) 34_544 50_454 ? O2A Zn2 O4 55.35(9) 78_445 50_454 ? O2A Zn2 O4 129.4(4) 50_454 50_454 ? O2B Zn2 O4 55.79(8) 78_445 50_454 ? O2B Zn2 O4 136.3(4) 50_454 50_454 ? O2B Zn2 O4 55.68(8) 34_544 50_454 ? O4 Zn2 O4 110.76(17) 34_544 50_454 ? O4 Zn2 O4 110.75(17) 78_445 50_454 ? Zn2P Zn2 Si 67.43(16) . 83_445 ? Zn2' Zn2 Si 67.43(16) . 83_445 ? O2A Zn2 Si 78.28(17) 34_544 83_445 ? O2A Zn2 Si 28.10(5) 78_445 83_445 ? O2A Zn2 Si 117.9(4) 50_454 83_445 ? O2B Zn2 Si 27.41(4) 78_445 83_445 ? O2B Zn2 Si 123.7(4) 50_454 83_445 ? O2B Zn2 Si 80.55(16) 34_544 83_445 ? O4 Zn2 Si 82.99(11) 34_544 83_445 ? O4 Zn2 Si 129.9(3) 78_445 83_445 ? O4 Zn2 Si 28.57(4) 50_454 83_445 ? O5 O5 O5 60.006(11) 9 5 ? O5 O5 O5 89.789(10) 9 34_544 ? O5 O5 O5 119.983(12) 5 34_544 ? O5 O5 O5 120.029(2) 9 55_454 ? O5 O5 O5 90.217(11) 5 55_454 ? O5 O5 O5 60.000(5) 34_544 55_454 ? O5 O5 Zn1' 148.5(3) 9 76_445 ? O5 O5 Zn1' 149.0(3) 5 76_445 ? O5 O5 Zn1' 65.4(9) 34_544 76_445 ? O5 O5 Zn1' 65.4(9) 55_454 76_445 ? O5 O5 Zn2' 74.0(9) 9 . ? O5 O5 Zn2' 74.0(9) 5 . ? O5 O5 Zn2' 149.77(3) 34_544 . ? O5 O5 Zn2' 150.21(2) 55_454 . ? Zn1' O5 Zn2' 117.8(19) 76_445 . ? O5 O5 Zn1P 149.70(4) 9 76_445 ? O5 O5 Zn1P 150.24(3) 5 76_445 ? O5 O5 Zn1P 72.1(7) 34_544 76_445 ? O5 O5 Zn1P 72.1(7) 55_454 76_445 ? Zn1' O5 Zn1P 7.9(3) 76_445 76_445 ? Zn2' O5 Zn1P 109.9(16) . 76_445 ? O5 O5 Zn2P 78.1(7) 9 . ? O5 O5 Zn2P 78.1(7) 5 . ? O5 O5 Zn2P 149.31(13) 34_544 . ? O5 O5 Zn2P 149.71(13) 55_454 . ? Zn1' O5 Zn2P 113.0(16) 76_445 . ? Zn2' O5 Zn2P 4.9(3) . . ? Zn1P O5 Zn2P 105.1(13) 76_445 . ? O5 O5 Zn1' 19.8(6) 9 50_454 ? O5 O5 Zn1' 79.0(5) 5 50_454 ? O5 O5 Zn1' 74.0(7) 34_544 50_454 ? O5 O5 Zn1' 118.4(7) 55_454 50_454 ? Zn1' O5 Zn1' 128.6(7) 76_445 50_454 ? Zn2' O5 Zn1' 83.8(10) . 50_454 ? Zn1P O5 Zn1' 130.3(6) 76_445 50_454 ? Zn2P O5 Zn1' 87.0(9) . 50_454 ? O5 O5 Zn1' 79.4(6) 9 27_544 ? O5 O5 Zn1' 20.2(6) 5 27_544 ? O5 O5 Zn1' 118.6(7) 34_544 27_544 ? O5 O5 Zn1' 74.2(7) 55_454 27_544 ? Zn1' O5 Zn1' 128.8(7) 76_445 27_544 ? Zn2' O5 Zn1' 83.9(10) . 27_544 ? Zn1P O5 Zn1' 130.5(6) 76_445 27_544 ? Zn2P O5 Zn1' 87.1(9) . 27_544 ? Zn1' O5 Zn1' 97.5(11) 50_454 27_544 ? 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 Si O2B 1.629(2) 9 ? Si O4 1.6285(7) 55_454 ? Si O1 1.6287(9) 101 ? Si O3B 1.7011(19) . ? Si O2A 1.731(2) 9 ? Si O3A 1.759(9) . ? Si Zn1P 3.0870(4) . ? Si Zn2P 3.1287(4) 27_544 ? Si Zn2' 3.1646(7) 27_544 ? Si Zn1' 3.2315(11) . ? Si Zn2 3.380(4) 27_544 ? Si Zn1 3.4459(4) . ? O2A Zn2P 1.948(5) 50_454 ? O2A Zn2' 2.029(5) 50_454 ? O2A Zn2 2.301(9) 50_454 ? O2A Zn1' 2.989(9) . ? O2A Zn1P 3.021(9) . ? O2B Zn2P 2.271(7) 50_454 ? O2B Zn2' 2.388(6) 50_454 ? O2B Zn2 2.518(9) 50_454 ? O2B Zn1P 3.010(10) . ? O2B Zn1' 3.072(10) . ? O3A Zn1P 1.899(19) . ? O3A Zn1' 2.223(19) . ? O3A Zn1 2.242(15) . ? O3B Zn1P 1.943(4) . ? O3B Zn1' 2.115(5) . ? O3B Zn1 2.568(3) . ? O4 Zn2P 3.0105(19) 50_454 ? O4 Zn2' 3.123(2) 50_454 ? O4 Zn2 3.167(4) 50_454 ? Zn1 Zn1P 1.727(2) 97 ? Zn1 Zn1P 1.727(2) . ? Zn1 Zn1' 2.516(3) . ? Zn1 Zn1' 2.516(3) 97 ? Zn1P Zn1' 0.788(4) . ? Zn1P O5 2.75(4) 60_454 ? Zn1P O5 2.75(4) 32_544 ? Zn1P O5 2.75(4) 76_445 ? Zn1' O5 2.04(4) 60_454 ? Zn1' O5 2.04(4) 32_544 ? Zn1' O5 2.04(4) 76_445 ? Zn2' Zn2P 0.745(3) . ? Zn2' Zn2 1.823(11) . ? Zn2' O5 2.09(4) . ? Zn2' O5 2.09(4) 5 ? Zn2' O5 2.09(4) 9 ? Zn2P Zn2 1.079(11) . ? Zn2P O5 2.81(4) 9 ? Zn2P O5 2.81(4) 5 ? Zn2P O5 2.81(4) . ? O5 O5 1.16(7) 9 ? O5 O5 1.16(7) 5 ? O5 O5 1.69(7) 34_544 ? O5 O5 1.69(7) 55_454 ?