#------------------------------------------------------------------------------ #$Date: 2021-01-05 02:38:02 +0200 (Tue, 05 Jan 2021) $ #$Revision: 260489 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559937.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_1559937 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_name_full 'The Journal of Physical Chemistry C' _journal_paper_doi 10.1021/acs.jpcc.0c09682 _journal_year 2021 _chemical_formula_sum 'O393.88 Si192 Zn37.67' _chemical_formula_weight 14157.44 _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 24.7060(3) _cell_length_b 24.7060(3) _cell_length_c 24.7060(3) _cell_measurement_temperature 100(1) _cell_volume 15080.2(3) _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 0.999 _diffrn_radiation_wavelength 0.630 _diffrn_reflns_av_R_equivalents 0.0058 _diffrn_reflns_av_unetI/netI 0.0096 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.999 _diffrn_reflns_limit_h_max 39 _diffrn_reflns_limit_h_min 2 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 2610 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.999 _diffrn_reflns_theta_full 22.210 _diffrn_reflns_theta_max 29.840 _diffrn_reflns_theta_min 2.067 _exptl_absorpt_coefficient_mu 1.782 _exptl_crystal_density_diffrn 1.559 _exptl_crystal_F_000 6968 _refine_diff_density_max 0.522 _refine_diff_density_min -0.538 _refine_diff_density_rms 0.092 _refine_ls_extinction_coef 0.00012(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 1.254 _refine_ls_hydrogen_treatment undef _refine_ls_matrix_type full _refine_ls_number_parameters 78 _refine_ls_number_reflns 1518 _refine_ls_number_restraints 2 _refine_ls_restrained_S_all 1.253 _refine_ls_R_factor_all 0.0418 _refine_ls_R_factor_gt 0.0411 _refine_ls_shift/su_max 0.056 _refine_ls_shift/su_mean 0.014 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0452P)^2^+109.8924P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1232 _refine_ls_wR_factor_ref 0.1235 _reflns_Friedel_coverage 0.000 _reflns_number_gt 1475 _reflns_number_total 1518 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ZnY523-1.cif _cod_data_source_block ZnY523-1 _cod_original_cell_volume 15080.2(5) _cod_original_sg_symbol_H-M 'F d -3 m' _cod_database_code 1559937 _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 16:53:37 on 29-Nov-2020 CELL 0.63000 24.7060 24.7060 24.7060 90.0000 90.0000 90.0000 ZERR 1.00 0.0003 0.0003 0.0003 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 393.88 192 37.67 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 0.045200 109.892395 EXTI 0.000122 FVAR 0.13594 0.09456 0.40545 0.13024 0.36977 0.04188 0.05145 FVAR 0.04753 SI 2 -0.051929 0.123883 0.036596 11.00000 0.01136 0.00700 = 0.00726 -0.00132 0.00066 -0.00089 O1 1 -0.102269 0.000000 0.102269 10.50000 0.03273 0.03377 = 0.03273 -0.01527 -0.00393 -0.01527 O2A 1 0.003832 0.003832 0.150354 10.25623 0.01011 0.01011 = 0.01107 -0.00458 -0.00458 0.00318 O2B 1 -0.005068 -0.005068 0.144760 10.24377 0.01699 0.01699 = 0.01247 0.00282 0.00282 0.00439 O3A 1 -0.031359 0.060435 0.060435 21.00000 0.01958 0.00746 = 0.00746 -0.00334 -0.00088 -0.00088 O3B 1 -0.023550 0.071864 0.071864 31.00000 0.03245 0.01243 = 0.01243 0.00249 0.00544 0.00544 O4 1 0.079370 0.079370 0.320129 10.50000 0.01752 0.01752 = 0.01835 -0.00254 -0.00254 0.00686 ZN1 3 0.000000 0.000000 0.000000 20.16667 0.04570 0.04570 = 0.04570 0.00274 0.00274 0.00274 ZN1P 3 0.041032 0.041032 0.041032 61.00000 0.02780 0.02780 = 0.02780 0.01860 0.01860 0.01860 ZN1' 3 0.059129 0.059129 0.059129 71.00000 0.01411 0.01411 = 0.01411 -0.00411 -0.00411 -0.00411 ZN2' 3 0.201129 0.201129 0.201129 71.00000 0.00888 0.00888 = 0.00888 0.00131 0.00131 0.00131 ZN2P 3 0.219652 0.219652 0.219652 0.02215 0.01492 0.01492 = 0.01492 0.00916 0.00916 0.00916 ZN2 3 0.242512 0.242512 0.242512 0.01352 0.02573 0.02573 = 0.02573 0.01159 0.01159 0.01159 O5 1 0.133393 0.167574 0.167574 71.00000 0.00862 0.03760 = 0.03760 -0.02502 -0.00122 -0.00122 HKLF 4 REM a in Fd-3m REM wR2 = 0.1235, GooF = S = 1.254, Restrained GooF = 1.253 for all data REM R1 = 0.0411 for 1475 Fo > 4sig(Fo) and 0.0418 for all 1518 data REM 78 parameters refined using 2 restraints END WGHT 0.0412 113.9555 REM Highest difference peak 0.522, deepest hole -0.538, 1-sigma level 0.092 Q1 1 0.1250 0.1250 0.1250 10.04167 0.05 0.52 Q2 1 0.0667 0.0667 0.0667 10.16667 0.05 0.51 Q3 1 -0.1033 -0.0116 0.0806 11.00000 0.05 0.49 Q4 1 0.2795 0.2795 0.2795 10.16667 0.05 0.46 Q5 1 0.0157 0.0157 0.0157 10.16667 0.05 0.42 Q6 1 -0.0816 0.0116 0.1163 11.00000 0.05 0.40 Q7 1 0.1004 0.0616 0.3101 11.00000 0.05 0.39 Q8 1 0.1511 0.1511 0.1511 10.16667 0.05 0.39 Q9 1 -0.0092 0.0782 0.0782 10.50000 0.05 0.38 Q10 1 0.2612 0.2441 0.2441 10.50000 0.05 0.36 ; _shelx_res_checksum 48527 _shelx_hkl_file ; 2 0 0 2.1 0.3 1 2 2 0 1813.6 14.2 1 2 2 2 69.7 1.2 1 3 1 1 4420.6 30.5 1 3 3 1 7896.7 67.8 1 3 3 3 360.3 5.8 1 4 0 0 1557.7 15.0 1 4 0 2 2.7 0.2 1 4 2 0 2.6 0.2 1 4 2 2 56.8 0.6 1 4 4 0 5235.6 39.9 1 4 4 2 410.9 3.5 1 4 4 4 735.6 12.4 1 5 1 1 197.8 1.8 1 5 1 3 118.2 1.1 1 5 3 1 116.7 1.1 1 5 3 3 13482.3 104.1 1 5 5 1 135.4 1.3 1 5 5 3 20.0 0.4 1 5 5 5 46792.2 703.7 1 6 0 0 16.6 0.5 1 6 0 2 176.3 1.6 1 6 0 4 1.4 0.3 1 6 2 0 173.9 1.5 1 6 2 2 193.1 1.7 1 6 2 4 9124.0 70.3 1 6 4 0 1.3 0.3 1 6 4 2 9136.6 70.6 1 6 4 4 74.1 0.8 1 6 6 0 387.3 3.6 1 6 6 2 25.6 0.5 1 6 6 4 16457.0 123.2 1 6 6 6 32697.5 495.5 1 7 1 1 2113.4 14.7 1 7 1 3 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24 6 10 197.3 2.5 1 24 6 12 1.6 1.1 1 24 6 14 211.6 2.9 1 24 6 16 59.5 1.6 1 24 6 18 228.4 3.1 1 24 6 20 61.4 1.7 1 24 6 22 294.8 4.1 1 24 8 0 473.9 4.9 1 24 8 2 19.3 1.1 1 24 8 4 5.1 0.9 1 24 8 6 1.8 0.9 1 24 8 8 557.8 5.0 1 24 8 10 48.5 1.3 1 24 8 12 489.7 5.1 1 24 8 14 43.0 1.4 1 24 8 16 119.2 2.1 1 24 8 18 302.1 4.1 1 24 8 20 400.9 5.1 1 24 8 22 33.2 1.9 1 24 10 0 1.8 1.0 1 24 10 2 15.5 1.0 1 24 10 4 2.8 0.9 1 24 10 6 200.1 2.5 1 24 10 8 47.9 1.3 1 24 10 10 171.2 2.6 1 24 10 12 3.9 1.1 1 24 10 14 380.3 4.5 1 24 10 16 244.4 3.8 1 24 10 18 230.2 3.4 1 24 10 20 54.8 2.0 1 24 10 22 587.3 6.9 1 24 12 0 4857.1 35.4 1 24 12 2 1.0 0.9 1 24 12 4 277.9 3.2 1 24 12 6 3.3 1.0 1 24 12 8 487.7 5.1 1 24 12 10 4.2 1.2 1 24 12 12 3473.3 29.5 1 24 12 14 2.1 1.4 1 24 12 16 33.5 1.7 1 24 12 18 133.2 2.6 1 24 12 20 471.8 5.6 1 24 12 22 9.3 1.7 1 24 14 0 1.6 1.0 1 24 14 2 779.2 7.1 1 24 14 4 42.7 1.3 1 24 14 6 217.5 2.8 1 24 14 8 43.1 1.6 1 24 14 10 382.6 4.4 1 24 14 12 1.7 1.4 1 24 14 14 1093.8 10.3 1 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11 149.3 2.1 1 25 7 13 98.7 1.9 1 25 7 15 637.8 6.7 1 25 7 17 518.8 5.4 1 25 7 19 340.8 4.1 1 25 7 21 10.3 1.6 1 25 7 23 72.8 2.2 1 25 9 1 739.0 6.9 1 25 9 3 62.7 1.5 1 25 9 5 944.5 8.3 1 25 9 7 144.5 2.1 1 25 9 9 405.6 4.1 1 25 9 11 416.0 4.3 1 25 9 13 933.6 9.3 1 25 9 15 125.8 2.2 1 25 9 17 57.4 1.9 1 25 9 19 25.5 1.9 1 25 9 21 308.1 4.4 1 25 9 23 878.2 9.1 1 25 11 1 72.3 1.5 1 25 11 3 994.9 9.0 1 25 11 5 37.2 1.3 1 25 11 7 143.0 2.1 1 25 11 9 409.2 4.6 1 25 11 11 20.4 1.2 1 25 11 13 27.7 1.5 1 25 11 15 280.0 3.7 1 25 11 17 51.3 2.1 1 25 11 19 234.9 3.6 1 25 11 21 426.5 5.0 1 25 11 23 110.2 2.7 1 25 13 1 170.4 2.3 1 25 13 3 522.6 5.1 1 25 13 5 367.1 3.8 1 25 13 7 97.8 1.8 1 25 13 9 948.0 9.4 1 25 13 11 25.8 1.5 1 25 13 13 15.9 1.6 1 25 13 15 92.5 2.3 1 25 13 17 197.2 3.3 1 25 13 19 531.4 6.1 1 25 13 21 299.9 4.4 1 25 13 23 74.4 2.4 1 25 15 1 326.3 3.5 1 25 15 3 148.0 2.2 1 25 15 5 6.6 1.0 1 25 15 7 630.0 6.6 1 25 15 9 125.8 2.3 1 25 15 11 275.2 3.9 1 25 15 13 91.7 2.3 1 25 15 15 82.3 2.2 1 25 15 17 99.5 2.5 1 25 15 19 174.1 3.1 1 25 15 21 15.3 1.9 1 25 15 23 47.4 2.4 1 25 17 1 90.6 1.8 1 25 17 3 1178.0 10.1 1 25 17 5 74.7 1.7 1 25 17 7 524.5 5.6 1 25 17 9 55.9 1.9 1 25 17 11 51.1 1.9 1 25 17 13 197.1 3.2 1 25 17 15 99.0 2.6 1 25 17 17 14.3 1.9 1 25 17 19 375.8 5.1 1 25 17 21 91.5 2.6 1 25 17 23 44.4 2.4 1 25 19 1 606.4 5.9 1 25 19 3 8.5 1.3 1 25 19 5 1035.4 9.6 1 25 19 7 343.4 4.7 1 25 19 9 23.7 1.8 1 25 19 11 236.9 3.6 1 25 19 13 524.7 6.2 1 25 19 15 174.3 3.2 1 25 19 17 375.3 4.8 1 25 19 19 67.2 2.5 1 25 19 21 10.8 2.1 1 25 19 23 105.9 3.1 1 25 21 1 439.2 4.6 1 25 21 3 10.2 1.3 1 25 21 5 119.8 2.2 1 25 21 7 12.1 1.7 1 25 21 9 297.2 4.1 1 25 21 11 423.5 5.1 1 25 21 13 305.1 4.6 1 25 21 15 16.9 1.9 1 25 21 17 89.6 2.6 1 25 21 19 7.0 2.1 1 25 21 21 9.8 2.2 1 25 23 1 22.3 1.7 1 25 23 3 499.1 5.5 1 25 23 5 18.7 1.5 1 25 23 7 72.9 2.0 1 25 23 9 864.8 9.4 1 25 23 11 111.8 2.9 1 25 23 13 79.3 2.4 1 25 23 15 43.2 2.2 1 25 23 17 45.2 2.5 1 25 23 19 101.4 3.0 1 25 25 1 7.7 1.5 1 25 25 3 85.0 2.2 1 25 25 5 81.8 2.3 1 25 25 7 5.2 1.5 1 25 25 9 260.3 4.1 1 25 25 11 4.6 1.9 1 25 25 13 57.8 2.5 1 25 25 15 15.5 2.1 1 26 0 0 0.1 1.4 1 26 0 2 149.1 2.1 1 26 0 4 0.8 0.9 1 26 0 6 695.1 6.7 1 26 0 8 0.9 1.0 1 26 0 10 265.2 3.0 1 26 0 12 0.9 1.0 1 26 0 14 1033.6 9.4 1 26 0 16 3.0 1.1 1 26 0 18 630.3 6.4 1 26 0 20 1.9 1.4 1 26 0 22 166.7 2.8 1 26 0 24 -1.7 1.4 1 26 2 0 148.5 2.1 1 26 2 2 5.1 1.0 1 26 2 4 177.3 2.4 1 26 2 6 367.0 3.8 1 26 2 8 64.7 1.4 1 26 2 10 39.5 1.3 1 26 2 12 728.1 6.7 1 26 2 14 148.0 2.2 1 26 2 16 1022.4 8.7 1 26 2 18 6.5 1.2 1 26 2 20 199.5 2.9 1 26 2 22 63.9 1.9 1 26 2 24 91.3 2.4 1 26 4 0 0.5 1.0 1 26 4 2 182.5 2.5 1 26 4 4 160.9 2.2 1 26 4 6 168.1 2.2 1 26 4 8 3.8 1.1 1 26 4 10 83.4 1.7 1 26 4 12 13.8 1.2 1 26 4 14 273.7 3.1 1 26 4 16 62.7 1.7 1 26 4 18 713.5 7.3 1 26 4 20 129.2 2.4 1 26 4 22 80.3 2.1 1 26 4 24 6.7 1.7 1 26 6 0 660.9 6.3 1 26 6 2 362.4 3.7 1 26 6 4 166.1 2.3 1 26 6 6 28.5 1.2 1 26 6 8 2325.2 18.3 1 26 6 10 39.2 1.3 1 26 6 12 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14 10 154.9 2.8 1 26 14 12 51.6 2.0 1 26 14 14 29.3 1.8 1 26 14 16 490.1 6.0 1 26 14 18 1.5 1.9 1 26 14 20 26.9 2.0 1 26 14 22 7.2 1.8 1 26 14 24 42.7 2.4 1 26 16 0 3.0 1.1 1 26 16 2 1030.9 9.1 1 26 16 4 64.7 1.6 1 26 16 6 184.5 2.8 1 26 16 8 19.7 1.7 1 26 16 10 17.7 1.7 1 26 16 12 7.5 1.7 1 26 16 14 494.7 6.1 1 26 16 16 66.6 2.3 1 26 16 18 37.3 2.1 1 26 16 20 29.4 2.1 1 26 16 22 19.7 2.1 1 26 16 24 2.1 2.0 1 26 18 0 630.8 5.8 1 26 18 2 7.9 1.4 1 26 18 4 703.9 6.8 1 26 18 6 1.9 1.1 1 26 18 8 873.4 8.7 1 26 18 10 3.2 1.6 1 26 18 12 408.5 5.3 1 26 18 14 3.1 1.7 1 26 18 16 37.6 2.1 1 26 18 18 6.5 1.9 1 26 18 20 786.6 9.1 1 26 18 22 0.6 2.0 1 26 20 0 2.0 1.3 1 26 20 2 197.2 2.7 1 26 20 4 128.4 2.6 1 26 20 6 1670.7 15.8 1 26 20 8 31.8 1.7 1 26 20 10 499.7 6.0 1 26 20 12 97.5 2.6 1 26 20 14 28.6 2.0 1 26 20 16 32.2 2.2 1 26 20 18 788.8 9.3 1 26 20 20 6.5 2.1 1 26 22 0 165.0 2.8 1 26 22 2 64.6 1.9 1 26 22 4 82.4 2.1 1 26 22 6 5.8 1.5 1 26 22 8 845.4 8.8 1 26 22 10 84.2 2.6 1 26 22 12 176.3 3.2 1 26 22 14 7.2 2.0 1 26 22 16 23.7 2.2 1 26 22 18 0.4 2.0 1 26 24 0 -0.4 1.7 1 26 24 2 79.6 2.0 1 26 24 4 5.5 1.5 1 26 24 6 19.5 1.7 1 26 24 8 21.2 2.0 1 26 24 10 178.2 3.5 1 26 24 12 11.5 1.9 1 26 24 14 42.3 2.4 1 26 24 16 2.6 2.0 1 26 26 0 3.4 1.6 1 26 26 2 57.0 2.1 1 26 26 4 190.0 3.3 1 26 26 6 159.4 3.2 1 26 26 8 126.7 2.9 1 26 26 10 114.3 3.1 1 26 26 12 34.9 2.3 1 27 1 1 39.2 1.3 1 27 1 3 2.9 1.0 1 27 1 5 26.6 1.2 1 27 1 7 803.7 7.2 1 27 1 9 65.8 1.4 1 27 1 11 225.2 2.8 1 27 1 13 7.0 1.2 1 27 1 15 58.8 1.6 1 27 1 17 41.7 1.6 1 27 1 19 141.8 2.5 1 27 1 21 9.4 1.5 1 27 1 23 8.2 1.6 1 27 1 25 3.7 1.4 1 27 3 1 3.7 1.1 1 27 3 3 1010.9 8.9 1 27 3 5 11.4 1.1 1 27 3 7 449.7 4.4 1 27 3 9 276.7 3.1 1 27 3 11 243.6 3.2 1 27 3 13 153.4 2.2 1 27 3 15 677.5 6.4 1 27 3 17 22.9 1.4 1 27 3 19 535.6 5.5 1 27 3 21 17.5 1.4 1 27 3 23 125.8 2.5 1 27 3 25 249.1 3.8 1 27 5 1 27.1 1.2 1 27 5 3 12.2 1.1 1 27 5 5 931.2 8.4 1 27 5 7 384.7 3.9 1 27 5 9 159.7 2.2 1 27 5 11 297.3 3.4 1 27 5 13 127.6 2.2 1 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13 122.6 2.5 1 27 13 15 162.1 3.1 1 27 13 17 4.4 1.7 1 27 13 19 19.1 1.9 1 27 13 21 19.6 2.0 1 27 13 23 1.0 2.0 1 27 13 25 81.6 2.8 1 27 15 1 57.7 1.5 1 27 15 3 668.6 6.4 1 27 15 5 43.1 1.6 1 27 15 7 256.8 3.4 1 27 15 9 101.7 2.3 1 27 15 11 69.9 2.0 1 27 15 13 161.9 3.2 1 27 15 15 543.8 6.5 1 27 15 17 153.6 3.1 1 27 15 19 276.2 4.2 1 27 15 21 12.0 2.0 1 27 15 23 62.4 2.7 1 27 17 1 41.5 1.5 1 27 17 3 23.5 1.4 1 27 17 5 1320.9 11.4 1 27 17 7 658.6 6.6 1 27 17 9 54.3 1.8 1 27 17 11 85.6 2.4 1 27 17 13 5.5 1.7 1 27 17 15 155.3 3.0 1 27 17 17 1162.5 12.1 1 27 17 19 3.9 2.0 1 27 17 21 57.7 2.7 1 27 19 1 140.1 2.4 1 27 19 3 546.6 5.6 1 27 19 5 4.4 1.4 1 27 19 7 77.7 2.1 1 27 19 9 759.2 8.2 1 27 19 11 701.2 7.9 1 27 19 13 16.6 1.9 1 27 19 15 277.8 4.9 1 27 19 17 2.9 2.0 1 27 19 19 433.4 6.0 1 27 21 1 8.5 1.4 1 27 21 3 19.3 1.4 1 27 21 5 280.4 4.0 1 27 21 7 159.5 3.0 1 27 21 9 10.7 2.0 1 27 21 11 -0.7 1.9 1 27 21 13 19.0 2.1 1 27 21 15 12.2 2.0 1 27 21 17 57.8 2.5 1 27 23 1 8.5 1.6 1 27 23 3 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1 28 4 14 17.6 1.3 1 28 4 16 920.8 8.1 1 28 4 18 133.9 2.5 1 28 4 20 458.1 5.4 1 28 4 22 -0.4 1.6 1 28 4 24 0.1 1.6 1 28 4 26 11.4 2.1 1 28 6 0 0.9 1.1 1 28 6 2 10.6 1.1 1 28 6 4 54.4 1.5 1 28 6 6 8608.3 59.2 1 28 6 8 2.1 1.1 1 28 6 10 23.7 1.4 1 28 6 12 19.9 1.3 1 28 6 14 43.5 1.7 1 28 6 16 4.4 1.4 1 28 6 18 4956.4 39.3 1 28 6 20 3.4 1.5 1 28 6 22 147.9 3.0 1 28 6 24 38.0 2.2 1 28 6 26 201.9 3.8 1 28 8 0 1091.4 9.4 1 28 8 2 4.1 1.1 1 28 8 4 376.6 4.0 1 28 8 6 2.9 1.1 1 28 8 8 985.9 8.5 1 28 8 10 31.0 1.4 1 28 8 12 11.7 1.3 1 28 8 14 3.0 1.4 1 28 8 16 130.5 2.5 1 28 8 18 60.8 1.9 1 28 8 20 2154.6 20.1 1 28 8 22 1.7 2.0 1 28 8 24 85.4 2.7 1 28 10 0 0.8 1.1 1 28 10 2 360.2 3.7 1 28 10 4 150.9 2.4 1 28 10 6 24.4 1.4 1 28 10 8 31.1 1.4 1 28 10 10 135.9 2.6 1 28 10 12 240.4 3.6 1 28 10 14 177.7 2.8 1 28 10 16 55.6 2.1 1 28 10 18 7.7 1.8 1 28 10 20 52.8 2.2 1 28 10 22 303.2 4.8 1 28 10 24 70.7 2.6 1 28 12 0 2538.6 20.8 1 28 12 2 197.4 2.5 1 28 12 4 234.1 3.1 1 28 12 6 21.0 1.3 1 28 12 8 11.5 1.2 1 28 12 10 247.6 3.5 1 28 12 12 245.3 3.5 1 28 12 14 14.3 1.8 1 28 12 16 194.7 3.3 1 28 12 18 116.7 3.0 1 28 12 20 30.7 2.1 1 28 12 22 7.7 2.0 1 28 12 24 169.6 3.8 1 28 14 0 0.3 1.2 1 28 14 2 1165.1 10.1 1 28 14 4 14.7 1.4 1 28 14 6 40.8 1.6 1 28 14 8 4.0 1.3 1 28 14 10 181.8 3.0 1 28 14 12 9.9 1.4 1 28 14 14 1341.0 13.3 1 28 14 16 9.4 1.9 1 28 14 18 61.4 2.3 1 28 14 20 121.5 3.1 1 28 14 22 11.8 2.1 1 28 16 0 397.1 4.3 1 28 16 2 20.7 1.4 1 28 16 4 933.2 8.3 1 28 16 6 3.1 1.2 1 28 16 8 129.7 2.5 1 28 16 10 49.7 2.0 1 28 16 12 206.0 3.4 1 28 16 14 11.0 1.9 1 28 16 16 1837.2 17.5 1 28 16 18 2.1 1.9 1 28 16 20 94.9 2.9 1 28 18 0 0.8 1.5 1 28 18 2 121.5 2.3 1 28 18 4 128.6 2.4 1 28 18 6 5003.0 40.0 1 28 18 8 63.5 2.1 1 28 18 10 7.7 1.8 1 28 18 12 116.8 2.8 1 28 18 14 61.6 2.6 1 28 18 16 4.0 2.0 1 28 18 18 736.9 8.3 1 28 18 20 30.8 2.5 1 28 20 0 11.2 1.4 1 28 20 2 51.3 1.8 1 28 20 4 444.8 5.2 1 28 20 6 3.4 1.6 1 28 20 8 2149.3 20.4 1 28 20 10 52.9 2.2 1 28 20 12 31.2 2.1 1 28 20 14 119.7 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5 11 292.1 3.6 1 29 5 13 1.3 1.2 1 29 5 15 35.5 1.6 1 29 5 17 4531.2 37.0 1 29 5 19 60.8 2.1 1 29 5 21 3.0 1.8 1 29 5 23 359.3 5.1 1 29 5 25 168.6 3.3 1 29 7 1 150.2 2.3 1 29 7 3 201.6 2.8 1 29 7 5 1009.2 8.7 1 29 7 7 275.5 3.3 1 29 7 9 206.3 2.9 1 29 7 11 241.3 3.1 1 29 7 13 49.2 1.8 1 29 7 15 7.3 1.5 1 29 7 17 1589.1 14.6 1 29 7 19 9.0 1.6 1 29 7 21 181.9 3.6 1 29 7 23 36.3 2.3 1 29 7 25 53.0 2.7 1 29 9 1 17.5 1.4 1 29 9 3 19.6 1.3 1 29 9 5 515.8 5.0 1 29 9 7 208.8 2.8 1 29 9 9 403.5 4.3 1 29 9 11 48.5 1.8 1 29 9 13 3.0 1.4 1 29 9 15 148.7 2.6 1 29 9 17 61.7 2.2 1 29 9 19 415.2 5.7 1 29 9 21 237.3 4.1 1 29 9 23 120.6 3.3 1 29 11 1 263.0 3.0 1 29 11 3 11.3 1.2 1 29 11 5 289.0 3.5 1 29 11 7 241.8 3.1 1 29 11 9 48.0 1.7 1 29 11 11 16.6 1.6 1 29 11 13 27.4 1.8 1 29 11 15 10.5 1.6 1 29 11 17 730.5 8.1 1 29 11 19 14.2 1.9 1 29 11 21 31.5 2.3 1 29 11 23 1.3 2.2 1 29 13 1 559.9 5.3 1 29 13 3 38.0 1.6 1 29 13 5 0.8 1.3 1 29 13 7 45.9 1.7 1 29 13 9 3.1 1.2 1 29 13 11 34.3 1.9 1 29 13 13 185.2 3.3 1 29 13 15 39.7 2.0 1 29 13 17 72.1 2.3 1 29 13 19 55.9 2.5 1 29 13 21 3.3 2.1 1 29 15 1 3.3 1.3 1 29 15 3 78.9 1.9 1 29 15 5 41.6 1.7 1 29 15 7 8.6 1.5 1 29 15 9 163.1 3.0 1 29 15 11 12.4 1.5 1 29 15 13 39.8 2.0 1 29 15 15 198.0 3.5 1 29 15 17 62.2 2.4 1 29 15 19 9.0 2.4 1 29 15 21 1.9 2.1 1 29 17 1 69.8 1.9 1 29 17 3 217.0 3.0 1 29 17 5 4531.7 34.5 1 29 17 7 1609.2 14.7 1 29 17 9 63.4 2.1 1 29 17 11 735.9 8.0 1 29 17 13 69.0 2.7 1 29 17 15 63.5 2.4 1 29 17 17 1235.5 12.8 1 29 17 19 30.5 2.4 1 29 19 1 5.0 1.4 1 29 19 3 201.2 3.0 1 29 19 5 55.7 1.9 1 29 19 7 8.7 1.8 1 29 19 9 406.2 5.3 1 29 19 11 14.7 2.0 1 29 19 13 49.9 2.3 1 29 19 15 9.6 1.9 1 29 19 17 31.2 2.4 1 29 21 1 5.2 1.5 1 29 21 3 86.4 2.3 1 29 21 5 4.6 1.7 1 29 21 7 187.1 3.4 1 29 21 9 246.7 4.3 1 29 21 11 33.5 2.2 1 29 21 13 2.8 2.0 1 29 21 15 2.6 2.3 1 29 23 1 0.8 1.7 1 29 23 3 28.9 1.9 1 29 23 5 360.2 5.2 1 29 23 7 31.4 2.1 1 29 23 9 124.8 3.1 1 29 23 11 0.8 2.0 1 29 25 1 18.5 1.9 1 29 25 3 12.9 1.9 1 29 25 5 173.0 3.6 1 29 25 7 55.5 2.7 1 30 0 0 6.7 1.8 1 30 0 2 173.8 2.5 1 30 0 4 1.2 1.2 1 30 0 6 522.2 5.1 1 30 0 8 -0.6 1.3 1 30 0 10 37.0 1.6 1 30 0 12 3.1 1.3 1 30 0 14 295.6 3.8 1 30 0 16 0.5 1.4 1 30 0 18 120.2 2.5 1 30 0 20 0.7 1.7 1 30 0 22 76.0 2.3 1 30 0 24 1.3 1.8 1 30 2 0 174.7 2.4 1 30 2 2 13.0 1.3 1 30 2 4 328.6 3.8 1 30 2 6 106.9 2.1 1 30 2 8 35.9 1.6 1 30 2 10 112.2 2.1 1 30 2 12 361.9 4.3 1 30 2 14 3.6 1.4 1 30 2 16 375.8 4.2 1 30 2 18 3.5 1.5 1 30 2 20 9.0 1.7 1 30 2 22 10.2 1.8 1 30 2 24 35.8 2.4 1 30 4 0 0.3 1.2 1 30 4 2 320.4 3.6 1 30 4 4 12.7 1.3 1 30 4 6 56.3 1.6 1 30 4 8 327.6 3.8 1 30 4 10 45.5 1.7 1 30 4 12 81.3 1.9 1 30 4 14 707.0 6.8 1 30 4 16 428.1 4.6 1 30 4 18 26.9 1.8 1 30 4 20 15.6 1.8 1 30 4 22 76.0 2.4 1 30 4 24 242.9 3.9 1 30 6 0 507.2 5.0 1 30 6 2 106.1 2.0 1 30 6 4 53.5 1.8 1 30 6 6 7.5 1.3 1 30 6 8 473.0 5.0 1 30 6 10 8.4 1.4 1 30 6 12 57.6 1.7 1 30 6 14 1.3 1.2 1 30 6 16 783.4 7.7 1 30 6 18 36.3 1.9 1 30 6 20 103.3 2.8 1 30 6 22 7.6 2.0 1 30 6 24 83.3 2.8 1 30 8 0 1.0 1.2 1 30 8 2 37.9 1.6 1 30 8 4 331.5 3.7 1 30 8 6 474.2 4.7 1 30 8 8 38.0 1.5 1 30 8 10 5.6 1.4 1 30 8 12 38.8 1.7 1 30 8 14 360.7 4.5 1 30 8 16 26.7 1.7 1 30 8 18 70.4 2.1 1 30 8 20 22.0 2.0 1 30 8 22 38.2 2.2 1 30 10 0 39.0 1.5 1 30 10 2 112.4 2.2 1 30 10 4 45.2 1.6 1 30 10 6 8.9 1.3 1 30 10 8 3.3 1.4 1 30 10 10 10.6 1.2 1 30 10 12 126.7 2.5 1 30 10 14 17.8 1.4 1 30 10 16 9.4 1.7 1 30 10 18 60.2 2.3 1 30 10 20 1.3 1.9 1 30 10 22 83.6 2.9 1 30 12 0 3.6 1.5 1 30 12 2 357.3 4.2 1 30 12 4 83.5 2.2 1 30 12 6 57.1 1.7 1 30 12 8 39.7 1.5 1 30 12 10 120.6 2.4 1 30 12 12 1.4 1.7 1 30 12 14 214.0 3.7 1 30 12 16 133.8 3.0 1 30 12 18 56.0 2.6 1 30 12 20 3.2 2.0 1 30 14 0 295.9 3.5 1 30 14 2 1.7 1.3 1 30 14 4 701.7 7.0 1 30 14 6 1.4 1.3 1 30 14 8 369.3 4.5 1 30 14 10 23.9 1.9 1 30 14 12 212.3 3.6 1 30 14 14 27.3 2.2 1 30 14 16 693.0 8.0 1 30 14 18 41.3 2.3 1 30 14 20 37.4 2.3 1 30 16 0 0.2 1.4 1 30 16 2 375.9 4.3 1 30 16 4 435.9 4.8 1 30 16 6 791.4 7.8 1 30 16 8 30.7 1.8 1 30 16 10 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1.8 1 31 13 9 179.2 3.0 1 31 13 11 290.7 4.1 1 31 13 13 303.5 4.4 1 31 13 15 0.2 1.9 1 31 13 17 323.4 5.2 1 31 13 19 -1.7 2.1 1 31 15 1 185.1 3.0 1 31 15 3 508.1 5.8 1 31 15 5 154.9 2.6 1 31 15 7 127.7 2.8 1 31 15 9 52.7 2.1 1 31 15 11 225.0 4.0 1 31 15 13 1.6 1.9 1 31 15 15 464.6 6.0 1 31 15 17 71.8 2.9 1 31 17 1 79.2 2.1 1 31 17 3 515.2 5.5 1 31 17 5 14.9 1.6 1 31 17 7 0.1 1.7 1 31 17 9 18.9 2.0 1 31 17 11 40.7 2.3 1 31 17 13 317.6 4.9 1 31 17 15 70.8 2.9 1 31 19 1 36.9 1.9 1 31 19 3 27.6 1.8 1 31 19 5 109.1 2.6 1 31 19 7 30.5 2.2 1 31 19 9 3.7 1.8 1 31 19 11 176.3 3.5 1 31 19 13 2.1 2.2 1 31 21 1 128.1 2.7 1 31 21 3 34.3 2.0 1 31 21 5 7.2 2.0 1 31 21 7 5.1 1.9 1 31 21 9 14.3 2.2 1 31 21 11 1.8 2.3 1 31 23 1 59.3 2.2 1 31 23 3 53.9 2.5 1 31 23 5 50.7 2.6 1 32 0 0 1114.0 13.6 1 32 0 2 -0.5 1.3 1 32 0 4 189.7 2.7 1 32 0 6 0.6 1.4 1 32 0 8 89.1 2.1 1 32 0 10 1.8 1.4 1 32 0 12 480.6 5.2 1 32 0 14 0.7 1.6 1 32 0 16 2.8 1.7 1 32 0 18 -0.1 1.7 1 32 0 20 381.3 5.1 1 32 0 22 1.8 1.9 1 32 2 0 0.3 1.5 1 32 2 2 574.0 5.7 1 32 2 4 72.1 1.9 1 32 2 6 434.0 5.3 1 32 2 8 2.0 1.5 1 32 2 10 697.2 6.4 1 32 2 12 36.4 1.8 1 32 2 14 580.7 6.2 1 32 2 16 7.7 1.7 1 32 2 18 370.5 5.0 1 32 2 20 10.5 1.7 1 32 2 22 16.7 2.0 1 32 4 0 188.7 2.8 1 32 4 2 73.1 1.8 1 32 4 4 97.0 2.1 1 32 4 6 4.6 1.4 1 32 4 8 69.7 1.9 1 32 4 10 27.8 1.6 1 32 4 12 59.2 2.1 1 32 4 14 94.3 2.3 1 32 4 16 185.7 3.0 1 32 4 18 91.9 2.4 1 32 4 20 12.4 2.0 1 32 6 0 1.0 1.4 1 32 6 2 437.7 4.9 1 32 6 4 4.4 1.4 1 32 6 6 19.0 1.5 1 32 6 8 122.3 2.4 1 32 6 10 464.5 5.0 1 32 6 12 4.9 1.4 1 32 6 14 790.8 7.8 1 32 6 16 4.9 1.8 1 32 6 18 21.6 2.0 1 32 6 20 29.4 2.1 1 32 8 0 90.8 2.1 1 32 8 2 4.4 1.5 1 32 8 4 70.0 1.9 1 32 8 6 123.3 2.4 1 32 8 8 21.1 1.6 1 32 8 10 0.5 1.5 1 32 8 12 473.0 5.8 1 32 8 14 71.7 2.2 1 32 8 16 72.6 2.1 1 32 8 18 1.2 1.3 1 32 8 20 121.5 3.4 1 32 10 0 3.7 1.5 1 32 10 2 698.0 7.3 1 32 10 4 28.6 1.6 1 32 10 6 466.6 5.2 1 32 10 8 2.3 1.5 1 32 10 10 18.0 1.8 1 32 10 12 13.1 1.8 1 32 10 14 533.0 6.2 1 32 10 16 61.7 2.3 1 32 10 18 0.1 2.0 1 32 12 0 494.5 5.2 1 32 12 2 38.5 1.7 1 32 12 4 59.1 2.0 1 32 12 6 3.0 1.5 1 32 12 8 477.7 5.4 1 32 12 10 16.5 1.7 1 32 12 12 73.0 2.4 1 32 12 14 7.5 1.8 1 32 12 16 29.5 2.3 1 32 12 18 15.4 2.1 1 32 14 0 0.9 1.4 1 32 14 2 576.3 5.8 1 32 14 4 90.1 2.2 1 32 14 6 778.4 7.6 1 32 14 8 65.2 2.0 1 32 14 10 526.0 6.4 1 32 14 12 6.9 1.8 1 32 14 14 321.2 4.9 1 32 14 16 68.9 2.7 1 32 16 0 4.6 1.6 1 32 16 2 7.3 1.7 1 32 16 4 186.3 3.0 1 32 16 6 3.9 1.4 1 32 16 8 76.9 2.4 1 32 16 10 62.2 2.3 1 32 16 12 34.4 2.3 1 32 16 14 67.2 2.9 1 32 18 0 2.2 1.7 1 32 18 2 368.1 4.6 1 32 18 4 89.0 2.4 1 32 18 6 19.2 2.0 1 32 18 8 2.4 1.9 1 32 18 10 -1.2 2.1 1 32 18 12 12.4 2.4 1 32 20 0 365.2 4.7 1 32 20 2 12.2 1.7 1 32 20 4 12.2 1.9 1 32 20 6 33.6 2.2 1 32 20 8 119.3 3.0 1 32 22 0 -1.4 1.8 1 32 22 2 19.2 2.1 1 33 1 1 664.1 7.0 1 33 1 3 199.7 2.9 1 33 1 5 66.0 2.0 1 33 1 7 104.9 2.2 1 33 1 9 9.0 1.7 1 33 1 11 1301.0 11.4 1 33 1 13 48.3 1.9 1 33 1 15 80.7 2.3 1 33 1 17 365.8 5.1 1 33 1 19 21.5 2.0 1 33 3 1 195.7 2.9 1 33 3 3 336.6 4.1 1 33 3 5 16.8 1.6 1 33 3 7 8.5 1.5 1 33 3 9 281.9 3.9 1 33 3 11 148.9 2.7 1 33 3 13 48.3 1.9 1 33 3 15 422.4 4.9 1 33 3 17 5.9 1.6 1 33 3 19 5.1 2.0 1 33 5 1 66.9 2.1 1 33 5 3 14.9 1.5 1 33 5 5 10.8 1.5 1 33 5 7 289.6 3.8 1 33 5 9 12.9 1.6 1 33 5 11 443.7 5.1 1 33 5 13 182.6 2.9 1 33 5 15 7.6 1.5 1 33 5 17 49.4 2.2 1 33 5 19 174.8 3.4 1 33 7 1 107.5 2.5 1 33 7 3 9.1 1.7 1 33 7 5 291.8 3.5 1 33 7 7 315.7 4.0 1 33 7 9 12.0 1.6 1 33 7 11 6.9 1.7 1 33 7 13 21.5 1.8 1 33 7 15 28.4 1.9 1 33 7 17 32.6 2.0 1 33 7 19 137.2 3.4 1 33 9 1 5.4 1.6 1 33 9 3 284.2 3.8 1 33 9 5 14.6 1.7 1 33 9 7 10.3 1.5 1 33 9 9 175.6 2.9 1 33 9 11 5.5 1.7 1 33 9 13 156.3 3.1 1 33 9 15 285.4 4.4 1 33 9 17 19.2 2.0 1 33 11 1 1309.5 11.7 1 33 11 3 145.8 2.5 1 33 11 5 441.6 5.0 1 33 11 7 7.4 1.6 1 33 11 9 3.6 1.5 1 33 11 11 2460.6 21.9 1 33 11 13 124.4 3.0 1 33 11 15 24.4 1.9 1 33 11 17 189.4 3.8 1 33 13 1 47.2 2.0 1 33 13 3 47.2 2.0 1 33 13 5 182.6 3.0 1 33 13 7 19.2 1.6 1 33 13 9 152.2 3.2 1 33 13 11 125.6 2.8 1 33 13 13 104.1 2.8 1 33 13 15 125.0 3.5 1 33 15 1 83.6 2.3 1 33 15 3 433.7 5.2 1 33 15 5 8.5 1.6 1 33 15 7 27.2 1.9 1 33 15 9 286.4 4.2 1 33 15 11 28.8 2.1 1 33 15 13 124.5 3.4 1 33 17 1 384.7 4.8 1 33 17 3 7.0 1.8 1 33 17 5 45.9 2.2 1 33 17 7 34.2 2.2 1 33 17 9 20.8 2.1 1 33 17 11 191.4 4.1 1 33 19 1 20.2 2.0 1 33 19 3 6.3 1.8 1 33 19 5 185.0 3.6 1 33 19 7 134.5 3.1 1 34 0 0 1.5 2.2 1 34 0 2 388.4 4.8 1 34 0 4 1.0 1.7 1 34 0 6 809.9 8.1 1 34 0 8 -0.1 1.5 1 34 0 10 2797.1 22.5 1 34 0 12 2.1 1.9 1 34 0 14 30.1 2.1 1 34 0 16 1.3 1.8 1 34 0 18 336.8 4.7 1 34 2 0 390.6 4.5 1 34 2 2 98.4 2.3 1 34 2 4 154.6 2.7 1 34 2 6 5.0 1.6 1 34 2 8 269.1 3.6 1 34 2 10 173.1 3.0 1 34 2 12 195.2 3.2 1 34 2 14 58.1 2.3 1 34 2 16 4.3 1.8 1 34 2 18 79.3 2.5 1 34 4 0 0.3 1.5 1 34 4 2 157.6 2.7 1 34 4 4 35.9 1.8 1 34 4 6 238.9 3.3 1 34 4 8 9.3 1.6 1 34 4 10 21.7 1.8 1 34 4 12 75.9 2.3 1 34 4 14 166.9 3.0 1 34 4 16 10.1 1.9 1 34 4 18 118.1 3.0 1 34 6 0 828.8 8.2 1 34 6 2 5.5 1.7 1 34 6 4 242.5 3.6 1 34 6 6 534.2 5.5 1 34 6 8 152.7 2.8 1 34 6 10 56.3 2.0 1 34 6 12 720.5 7.7 1 34 6 14 14.9 2.0 1 34 6 16 74.7 2.3 1 34 6 18 6.2 2.3 1 34 8 0 0.4 1.6 1 34 8 2 270.4 3.8 1 34 8 4 8.2 1.7 1 34 8 6 151.7 2.7 1 34 8 8 93.3 2.6 1 34 8 10 167.3 3.0 1 34 8 12 12.2 1.9 1 34 8 14 530.1 6.5 1 34 8 16 10.0 1.9 1 34 10 0 2823.3 22.0 1 34 10 2 177.2 2.9 1 34 10 4 21.0 1.8 1 34 10 6 58.5 2.1 1 34 10 8 161.1 3.1 1 34 10 10 118.4 2.8 1 34 10 12 1496.6 15.8 1 34 10 14 -0.1 1.9 1 34 10 16 71.5 2.8 1 34 12 0 -0.4 1.8 1 34 12 2 196.1 3.2 1 34 12 4 75.8 2.4 1 34 12 6 721.6 7.4 1 34 12 8 9.1 1.8 1 34 12 10 1501.5 15.7 1 34 12 12 6.3 2.0 1 34 12 14 76.0 2.6 1 34 14 0 32.2 2.0 1 34 14 2 56.2 2.1 1 34 14 4 166.1 2.8 1 34 14 6 13.3 1.8 1 34 14 8 541.9 6.6 1 34 14 10 1.3 2.0 1 34 14 12 77.0 3.0 1 34 16 0 0.9 1.7 1 34 16 2 4.4 2.0 1 34 16 4 12.2 1.8 1 34 16 6 78.7 2.5 1 34 16 8 11.5 2.1 1 34 16 10 68.6 2.6 1 34 18 0 334.8 4.7 1 34 18 2 86.4 2.5 1 34 18 4 115.2 2.9 1 34 18 6 6.1 2.0 1 35 1 1 226.5 3.5 1 35 1 3 37.9 2.1 1 35 1 5 37.0 1.9 1 35 1 7 73.4 2.1 1 35 1 9 11.0 2.0 1 35 1 11 430.7 4.9 1 35 1 13 23.3 1.9 1 35 1 15 83.0 2.6 1 35 1 17 44.8 2.3 1 35 3 1 37.5 1.9 1 35 3 3 394.8 4.7 1 35 3 5 89.7 2.4 1 35 3 7 15.3 1.9 1 35 3 9 686.8 7.0 1 35 3 11 1.7 1.9 1 35 3 13 282.2 3.9 1 35 3 15 107.8 2.7 1 35 3 17 74.3 2.6 1 35 5 1 39.6 2.1 1 35 5 3 86.6 2.3 1 35 5 5 473.6 5.2 1 35 5 7 18.2 1.9 1 35 5 9 112.1 2.6 1 35 5 11 60.6 2.2 1 35 5 13 199.4 3.6 1 35 5 15 1.1 1.9 1 35 7 1 78.0 2.3 1 35 7 3 17.7 1.9 1 35 7 5 23.5 1.8 1 35 7 7 125.1 2.6 1 35 7 9 93.4 2.4 1 35 7 11 10.6 1.9 1 35 7 13 2.0 1.9 1 35 7 15 3.5 2.0 1 35 9 1 8.3 1.8 1 35 9 3 681.3 7.0 1 35 9 5 109.9 2.5 1 35 9 7 93.7 2.5 1 35 9 9 287.6 4.1 1 35 9 11 77.3 2.7 1 35 9 13 138.9 3.2 1 35 11 1 436.5 5.3 1 35 11 3 2.4 1.7 1 35 11 5 60.0 2.4 1 35 11 7 10.0 1.8 1 35 11 9 79.0 2.6 1 35 11 11 1005.3 10.9 1 35 11 13 113.4 3.1 1 35 13 1 22.2 2.0 1 35 13 3 282.0 4.3 1 35 13 5 196.5 3.3 1 35 13 7 1.0 1.8 1 35 13 9 138.8 3.2 1 35 13 11 120.8 3.0 1 35 15 1 86.0 2.6 1 35 15 3 108.9 2.7 1 35 15 5 2.1 1.9 1 35 15 7 2.3 1.8 1 35 17 1 45.6 2.3 1 35 17 3 69.4 2.4 1 36 0 0 310.6 5.9 1 36 0 2 -0.4 1.7 1 36 0 4 220.1 3.3 1 36 0 6 1.6 1.7 1 36 0 8 272.3 4.0 1 36 0 10 0.1 2.0 1 36 0 12 269.7 4.0 1 36 0 14 -0.2 1.9 1 36 2 0 0.5 1.7 1 36 2 2 380.9 4.9 1 36 2 4 100.2 2.5 1 36 2 6 550.7 5.9 1 36 2 8 27.8 2.1 1 36 2 10 435.9 5.4 1 36 2 12 -0.3 1.8 1 36 2 14 311.9 4.6 1 36 4 0 221.5 3.5 1 36 4 2 100.3 2.7 1 36 4 4 144.7 2.9 1 36 4 6 41.2 2.1 1 36 4 8 79.2 2.5 1 36 4 10 184.3 3.2 1 36 4 12 25.3 2.1 1 36 4 14 1.0 1.8 1 36 6 0 2.8 1.8 1 36 6 2 561.3 6.2 1 36 6 4 39.6 2.0 1 36 6 6 2.9 1.9 1 36 6 8 15.1 2.0 1 36 6 10 119.5 2.9 1 36 6 12 8.3 2.0 1 36 8 0 267.4 3.7 1 36 8 2 27.6 2.0 1 36 8 4 78.3 2.3 1 36 8 6 15.9 2.0 1 36 8 8 43.2 2.0 1 36 8 10 38.1 2.1 1 36 8 12 312.6 4.6 1 36 10 0 1.4 1.8 1 36 10 2 440.5 5.2 1 36 10 4 191.6 3.4 1 36 10 6 122.8 2.9 1 36 10 8 40.3 2.3 1 36 10 10 2.3 2.0 1 36 12 0 262.6 3.8 1 36 12 2 2.3 1.8 1 36 12 4 27.8 2.0 1 36 12 6 7.7 1.9 1 36 12 8 322.9 4.9 1 36 14 0 0.0 1.9 1 36 14 2 303.0 4.6 1 36 14 4 -0.2 1.9 1 37 1 1 21.1 2.0 1 37 1 3 510.1 5.7 1 37 1 5 16.6 1.9 1 37 1 7 4.5 1.9 1 37 1 9 315.8 4.1 1 37 1 11 0.5 1.9 1 37 3 1 507.3 5.8 1 37 3 3 150.2 3.1 1 37 3 5 302.1 4.2 1 37 3 7 233.4 3.6 1 37 3 9 75.7 2.5 1 37 3 11 263.8 3.9 1 37 5 1 16.4 1.9 1 37 5 3 302.5 4.3 1 37 5 5 1.8 1.9 1 37 5 7 41.8 2.2 1 37 5 9 17.7 2.0 1 37 5 11 3.1 2.0 1 37 7 1 4.1 2.0 1 37 7 3 228.6 3.5 1 37 7 5 41.2 2.3 1 37 7 7 24.1 2.3 1 37 7 9 35.4 2.2 1 37 9 1 314.0 4.6 1 37 9 3 70.4 2.4 1 37 9 5 15.1 2.0 1 37 9 7 33.8 2.2 1 37 11 1 3.0 2.0 1 37 11 3 262.9 4.3 1 37 11 5 5.7 2.0 1 38 0 0 3.8 2.8 1 38 0 2 108.9 2.7 1 38 0 4 2.8 2.0 1 38 0 6 205.3 3.6 1 38 0 8 0.2 2.1 1 38 2 0 110.4 2.7 1 38 2 2 273.9 4.3 1 38 2 4 54.2 2.4 1 38 2 6 3.0 2.0 1 38 2 8 115.1 2.8 1 38 4 0 -0.4 2.0 1 38 4 2 52.2 2.3 1 38 4 4 48.5 2.3 1 38 4 6 16.4 2.2 1 38 6 0 203.1 3.8 1 38 6 2 1.1 2.0 1 38 6 4 16.6 2.1 1 38 6 6 7.7 2.0 1 38 8 0 1.0 2.0 1 38 8 2 110.6 2.9 1 39 1 1 39.3 2.5 1 0 0 0 0.0 0.0 ; _shelx_hkl_checksum 92162 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 -0.05193(2) 0.12388(2) 0.03660(2) 0.00854(14) Uani 1 1 d . . . . . O1 O -0.10227(7) 0.000000 0.10227(7) 0.0331(5) Uani 1 2 d S T P . . O2A O 0.0038(2) 0.0038(2) 0.1504(5) 0.0104(11) Uani 0.5125 2 d S T P . . O2B O -0.0051(2) -0.0051(2) 0.1448(5) 0.0155(14) Uani 0.4875 2 d S T P . . O3A O -0.0314(7) 0.0604(3) 0.0604(3) 0.011(2) Uani 0.189(3) 2 d S T P . . O3B O -0.02355(18) 0.07186(10) 0.07186(10) 0.0191(6) Uani 0.811(3) 2 d S T P . . O4 O 0.07937(5) 0.07937(5) 0.32013(7) 0.0178(3) Uani 1 2 d S T P . . Zn1 Zn 0.000000 0.000000 0.000000 0.0457(18) Uani 0.189(3) 12 d S T P . . Zn1P Zn 0.04103(10) 0.04103(10) 0.04103(10) 0.0278(8) Uani 0.251(2) 6 d S T P . . Zn1' Zn 0.05913(4) 0.05913(4) 0.05913(4) 0.0141(4) Uani 0.309(3) 6 d S T P . . Zn2' Zn 0.20113(5) 0.20113(5) 0.20113(5) 0.0089(4) Uani 0.309(3) 6 d S T P . . Zn2P Zn 0.21965(13) 0.21965(13) 0.21965(13) 0.0149(16) Uani 0.133(4) 6 d S T . . . Zn2 Zn 0.2425(2) 0.2425(2) 0.2425(2) 0.026(3) Uani 0.081(3) 6 d S T . . . O5 O 0.1334(7) 0.1676(5) 0.1676(5) 0.028(5) Uani 0.1029(9) 2 d S T 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 0.0114(2) 0.00700(19) 0.00726(19) -0.00132(12) 0.00066(12) -0.00089(11) O1 0.0327(7) 0.0338(12) 0.0327(7) -0.0153(6) -0.0039(9) -0.0153(6) O2A 0.0101(16) 0.0101(16) 0.011(2) -0.0046(14) -0.0046(14) 0.0032(17) O2B 0.017(2) 0.017(2) 0.012(3) 0.003(2) 0.003(2) 0.004(2) O3A 0.020(5) 0.007(3) 0.007(3) -0.003(3) -0.001(3) -0.001(3) O3B 0.0325(18) 0.0124(8) 0.0124(8) 0.0025(10) 0.0054(10) 0.0054(10) O4 0.0175(5) 0.0175(5) 0.0183(8) -0.0025(4) -0.0025(4) 0.0069(6) Zn1 0.0457(18) 0.0457(18) 0.0457(18) 0.0027(17) 0.0027(17) 0.0027(17) Zn1P 0.0278(8) 0.0278(8) 0.0278(8) 0.0186(9) 0.0186(9) 0.0186(9) Zn1' 0.0141(4) 0.0141(4) 0.0141(4) -0.0041(3) -0.0041(3) -0.0041(3) Zn2' 0.0089(4) 0.0089(4) 0.0089(4) 0.0013(3) 0.0013(3) 0.0013(3) Zn2P 0.0149(16) 0.0149(16) 0.0149(16) 0.0092(14) 0.0092(14) 0.0092(14) Zn2 0.026(3) 0.026(3) 0.026(3) 0.012(2) 0.012(2) 0.012(2) O5 0.009(7) 0.038(7) 0.038(7) -0.025(9) -0.001(4) -0.001(4) 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 O1 Si O4 112.46(10) 101 55_454 ? O1 Si O2B 107.2(3) 101 9 ? O4 Si O2B 112.4(3) 55_454 9 ? O1 Si O3B 110.56(15) 101 . ? O4 Si O3B 108.46(13) 55_454 . ? O2B Si O3B 105.6(4) 9 . ? O1 Si O2A 118.3(2) 101 9 ? O4 Si O2A 104.8(3) 55_454 9 ? O2B Si O2A 11.2(4) 9 9 ? O3B Si O2A 101.4(4) . 9 ? O1 Si O3A 96.6(4) 101 . ? O4 Si O3A 119.8(4) 55_454 . ? O2B Si O3A 106.8(7) 9 . ? O3B Si O3A 14.7(3) . . ? O2A Si O3A 105.4(7) 9 . ? O1 Si Zn1P 111.82(12) 101 . ? O4 Si Zn1P 130.87(10) 55_454 . ? O2B Si Zn1P 72.8(4) 9 . ? O3B Si Zn1P 34.23(12) . . ? O2A Si Zn1P 70.9(4) 9 . ? O3A Si Zn1P 34.5(5) . . ? O1 Si Zn2P 135.92(10) 101 27_544 ? O4 Si Zn2P 71.01(7) 55_454 27_544 ? O2B Si Zn2P 42.9(3) 9 27_544 ? O3B Si Zn2P 109.20(17) . 27_544 ? O2A Si Zn2P 34.0(3) 9 27_544 ? O3A Si Zn2P 120.4(5) . 27_544 ? Zn1P Si Zn2P 91.14(11) . 27_544 ? O1 Si Zn2' 148.84(4) 101 27_544 ? O4 Si Zn2' 74.12(6) 55_454 27_544 ? O2B Si Zn2' 46.3(3) 9 27_544 ? O3B Si Zn2' 94.72(14) . 27_544 ? O2A Si Zn2' 35.45(19) 9 27_544 ? O3A Si Zn2' 106.3(5) . 27_544 ? Zn1P Si Zn2' 79.03(8) . 27_544 ? Zn2P Si Zn2' 14.50(9) 27_544 27_544 ? O1 Si Zn1' 125.69(9) 101 . ? O4 Si Zn1' 118.34(7) 55_454 . ? O2B Si Zn1' 70.3(4) 9 . ? O3B Si Zn1' 35.64(13) . . ? O2A Si Zn1' 65.8(4) 9 . ? O3A Si Zn1' 41.4(5) . . ? Zn1P Si Zn1' 13.86(7) . . ? Zn2P Si Zn1' 80.24(9) 27_544 . ? Zn2' Si Zn1' 67.14(4) 27_544 . ? O1 Si Zn2 120.11(17) 101 27_544 ? O4 Si Zn2 68.93(7) 55_454 27_544 ? O2B Si Zn2 43.8(4) 9 27_544 ? O3B Si Zn2 126.0(2) . 27_544 ? O2A Si Zn2 38.7(4) 9 27_544 ? O3A Si Zn2 136.7(5) . 27_544 ? Zn1P Si Zn2 105.19(14) . 27_544 ? Zn2P Si Zn2 16.88(19) 27_544 27_544 ? Zn2' Si Zn2 31.38(18) 27_544 27_544 ? Zn1' Si Zn2 95.63(15) . 27_544 ? O1 Si Zn1 81.21(9) 101 . ? O4 Si Zn1 154.76(7) 55_454 . ? O2B Si Zn1 81.4(4) 9 . ? O3B Si Zn1 46.35(11) . . ? O2A Si Zn1 85.2(4) 9 . ? O3A Si Zn1 35.2(4) . . ? Zn1P Si Zn1 30.62(8) . . ? Zn2P Si Zn1 114.73(6) 27_544 . ? Zn2' Si Zn1 105.62(3) 27_544 . ? Zn1' Si Zn1 44.48(3) . . ? Zn2 Si Zn1 123.89(8) 27_544 . ? Si O1 Si 144.09(17) 115 105 ? Si O2A Si 127.2(5) 115 5 ? Si O2A Zn2P 116.4(3) 115 50_454 ? Si O2A Zn2P 116.3(3) 5 50_454 ? Si O2A Zn2' 114.71(19) 115 50_454 ? Si O2A Zn2' 114.71(19) 5 50_454 ? Zn2P O2A Zn2' 23.02(17) 50_454 50_454 ? Si O2A Zn2 113.0(4) 115 50_454 ? Si O2A Zn2 113.0(4) 5 50_454 ? Zn2P O2A Zn2 25.2(3) 50_454 50_454 ? Zn2' O2A Zn2 48.2(3) 50_454 50_454 ? Si O2A Zn1' 82.2(4) 115 . ? Si O2A Zn1' 82.2(4) 5 . ? Zn2P O2A Zn1' 111.0(4) 50_454 . ? Zn2' O2A Zn1' 88.0(3) 50_454 . ? Zn2 O2A Zn1' 136.2(3) 50_454 . ? Si O2A Zn1P 76.1(4) 115 . ? Si O2A Zn1P 76.1(4) 5 . ? Zn2P O2A Zn1P 125.9(4) 50_454 . ? Zn2' O2A Zn1P 102.9(4) 50_454 . ? Zn2 O2A Zn1P 151.1(4) 50_454 . ? Zn1' O2A Zn1P 14.91(9) . . ? Si O2B Si 142.6(7) 115 5 ? Si O2B Zn2P 107.1(3) 115 50_454 ? Si O2B Zn2P 107.1(3) 5 50_454 ? Si O2B Zn2' 103.4(3) 115 50_454 ? Si O2B Zn2' 103.4(3) 5 50_454 ? Zn2P O2B Zn2' 19.76(15) 50_454 50_454 ? Si O2B Zn2 108.7(4) 115 50_454 ? Si O2B Zn2 108.7(4) 5 50_454 ? Zn2P O2B Zn2 23.5(3) 50_454 50_454 ? Zn2' O2B Zn2 43.2(3) 50_454 50_454 ? Si O2B Zn1P 76.2(4) 115 . ? Si O2B Zn1P 76.2(4) 5 . ? Zn2P O2B Zn1P 114.1(4) 50_454 . ? Zn2' O2B Zn1P 94.3(3) 50_454 . ? Zn2 O2B Zn1P 137.6(4) 50_454 . ? Si O2B Zn1' 79.8(4) 115 . ? Si O2B Zn1' 79.8(4) 5 . ? Zn2P O2B Zn1' 99.5(3) 50_454 . ? Zn2' O2B Zn1' 79.8(3) 50_454 . ? Zn2 O2B Zn1' 123.0(4) 50_454 . ? Zn1P O2B Zn1' 14.52(9) . . ? Si O3A Si 121.2(9) . 115 ? Si O3A Zn1P 114.3(5) . . ? Si O3A Zn1P 114.3(5) 115 . ? Si O3A Zn1' 107.4(5) . . ? Si O3A Zn1' 107.4(5) 115 . ? Zn1P O3A Zn1' 19.59(19) . . ? Si O3A Zn1 118.1(4) . . ? Si O3A Zn1 118.1(4) 115 . ? Zn1P O3A Zn1 49.1(4) . . ? Zn1' O3A Zn1 68.7(5) . . ? Si O3B Si 127.0(3) 115 . ? Si O3B Zn1P 115.93(12) 115 . ? Si O3B Zn1P 115.92(12) . . ? Si O3B Zn1' 116.02(14) 115 . ? Si O3B Zn1' 116.02(14) . . ? Zn1P O3B Zn1' 21.74(12) . . ? Si O3B Zn1 105.09(12) 115 . ? Si O3B Zn1 105.08(12) . . ? Zn1P O3B Zn1 42.93(15) . . ? Zn1' O3B Zn1 64.67(11) . . ? Si O4 Si 147.55(13) 167_565 34_544 ? Si O4 Zn2P 78.28(7) 167_565 50_454 ? Si O4 Zn2P 78.28(7) 34_544 50_454 ? Si O4 Zn2' 75.81(6) 167_565 50_454 ? Si O4 Zn2' 75.81(6) 34_544 50_454 ? Zn2P O4 Zn2' 14.68(10) 50_454 50_454 ? Si O4 Zn2 82.32(8) 167_565 50_454 ? Si O4 Zn2 82.31(8) 34_544 50_454 ? Zn2P O4 Zn2 18.0(2) 50_454 50_454 ? Zn2' O4 Zn2 32.72(19) 50_454 50_454 ? Zn1P Zn1 Zn1P 180.0(4) 97 . ? Zn1P Zn1 O3A 124.6(4) 97 . ? Zn1P Zn1 O3A 55.4(4) . . ? Zn1P Zn1 O3A 55.4(4) 97 105 ? Zn1P Zn1 O3A 124.6(4) . 105 ? O3A Zn1 O3A 89.0(5) . 105 ? Zn1P Zn1 O3A 124.6(4) 97 9 ? Zn1P Zn1 O3A 55.4(4) . 9 ? O3A Zn1 O3A 91.0(5) . 9 ? O3A Zn1 O3A 180.0(11) 105 9 ? Zn1P Zn1 O3A 55.4(4) 97 101 ? Zn1P Zn1 O3A 124.6(4) . 101 ? O3A Zn1 O3A 89.0(5) . 101 ? O3A Zn1 O3A 91.0(5) 105 101 ? O3A Zn1 O3A 89.0(5) 9 101 ? Zn1P Zn1 O3A 124.6(4) 97 5 ? Zn1P Zn1 O3A 55.4(4) . 5 ? O3A Zn1 O3A 91.0(5) . 5 ? O3A Zn1 O3A 89.0(5) 105 5 ? O3A Zn1 O3A 91.0(5) 9 5 ? O3A Zn1 O3A 180.0(11) 101 5 ? Zn1P Zn1 O3A 55.4(4) 97 97 ? Zn1P Zn1 O3A 124.6(4) . 97 ? O3A Zn1 O3A 180.0 . 97 ? O3A Zn1 O3A 91.0(5) 105 97 ? O3A Zn1 O3A 89.0(5) 9 97 ? O3A Zn1 O3A 91.0(5) 101 97 ? O3A Zn1 O3A 89.0(5) 5 97 ? Zn1P Zn1 Zn1' 0.0(2) 97 97 ? Zn1P Zn1 Zn1' 180.0(2) . 97 ? O3A Zn1 Zn1' 124.6(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' 55.4(4) 97 97 ? Zn1P Zn1 Zn1' 180.0(2) 97 . ? Zn1P Zn1 Zn1' 0.0(2) . . ? O3A Zn1 Zn1' 55.4(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' 124.6(4) 97 . ? Zn1' Zn1 Zn1' 180.00(12) 97 . ? Zn1P Zn1 O3B 131.69(10) 97 . ? Zn1P Zn1 O3B 48.31(10) . . ? O3A Zn1 O3B 7.1(4) . . ? O3A Zn1 O3B 94.0(3) 105 . ? O3A Zn1 O3B 86.0(3) 9 . ? O3A Zn1 O3B 94.0(3) 101 . ? O3A Zn1 O3B 86.0(3) 5 . ? O3A Zn1 O3B 172.9(4) 97 . ? Zn1' Zn1 O3B 131.69(10) 97 . ? Zn1' Zn1 O3B 48.31(10) . . ? Zn1P Zn1 O3B 48.31(10) 97 105 ? Zn1P Zn1 O3B 131.69(10) . 105 ? O3A Zn1 O3B 94.0(3) . 105 ? O3A Zn1 O3B 7.1(4) 105 105 ? O3A Zn1 O3B 172.9(4) 9 105 ? O3A Zn1 O3B 86.0(3) 101 105 ? O3A Zn1 O3B 94.0(3) 5 105 ? O3A Zn1 O3B 86.0(3) 97 105 ? Zn1' Zn1 O3B 48.31(10) 97 105 ? Zn1' Zn1 O3B 131.69(10) . 105 ? O3B Zn1 O3B 99.41(15) . 105 ? Zn1' Zn1P Zn1 180.0(6) . . ? Zn1' Zn1P O3A 104.5(3) . 9 ? Zn1 Zn1P O3A 75.5(3) . 9 ? Zn1' Zn1P O3A 104.5(3) . 5 ? Zn1 Zn1P O3A 75.5(3) . 5 ? O3A Zn1P O3A 113.9(3) 9 5 ? Zn1' Zn1P O3A 104.5(3) . . ? Zn1 Zn1P O3A 75.5(3) . . ? O3A Zn1P O3A 113.9(3) 9 . ? O3A Zn1P O3A 113.9(3) 5 . ? Zn1' Zn1P O3B 91.24(17) . . ? Zn1 Zn1P O3B 88.76(17) . . ? O3A Zn1P O3B 118.59(10) 9 . ? O3A Zn1P O3B 118.59(10) 5 . ? O3A Zn1P O3B 13.3(3) . . ? Zn1' Zn1P O3B 91.24(17) . 9 ? Zn1 Zn1P O3B 88.76(17) . 9 ? O3A Zn1P O3B 13.3(3) 9 9 ? O3A Zn1P O3B 118.59(10) 5 9 ? O3A Zn1P O3B 118.59(10) . 9 ? O3B Zn1P O3B 119.954(13) . 9 ? Zn1' Zn1P O3B 91.24(17) . 5 ? Zn1 Zn1P O3B 88.76(17) . 5 ? O3A Zn1P O3B 118.59(10) 9 5 ? O3A Zn1P O3B 13.3(3) 5 5 ? O3A Zn1P O3B 118.59(10) . 5 ? O3B Zn1P O3B 119.954(13) . 5 ? O3B Zn1P O3B 119.953(13) 9 5 ? Zn1' Zn1P O5 22.4(4) . 32_544 ? Zn1 Zn1P O5 157.6(4) . 32_544 ? O3A Zn1P O5 92.7(4) 9 32_544 ? O3A Zn1P O5 126.9(5) 5 32_544 ? O3A Zn1P O5 92.7(4) . 32_544 ? O3B Zn1P O5 80.2(2) . 32_544 ? O3B Zn1P O5 80.2(2) 9 32_544 ? O3B Zn1P O5 113.6(4) 5 32_544 ? Zn1' Zn1P O5 22.4(4) . 76_445 ? Zn1 Zn1P O5 157.6(4) . 76_445 ? O3A Zn1P O5 92.7(4) 9 76_445 ? O3A Zn1P O5 92.7(4) 5 76_445 ? O3A Zn1P O5 126.9(5) . 76_445 ? O3B Zn1P O5 113.6(4) . 76_445 ? O3B Zn1P O5 80.2(2) 9 76_445 ? O3B Zn1P O5 80.2(2) 5 76_445 ? O5 Zn1P O5 38.5(6) 32_544 76_445 ? Zn1' Zn1P O5 22.4(4) . 60_454 ? Zn1 Zn1P O5 157.6(4) . 60_454 ? O3A Zn1P O5 126.9(5) 9 60_454 ? O3A Zn1P O5 92.7(4) 5 60_454 ? O3A Zn1P O5 92.7(4) . 60_454 ? O3B Zn1P O5 80.2(2) . 60_454 ? O3B Zn1P O5 113.6(4) 9 60_454 ? O3B Zn1P O5 80.2(2) 5 60_454 ? O5 Zn1P O5 38.5(6) 32_544 60_454 ? O5 Zn1P O5 38.5(6) 76_445 60_454 ? Zn1' Zn1P O2A 80.43(14) . . ? Zn1 Zn1P O2A 99.57(14) . . ? O3A Zn1P O2A 175.1(4) 9 . ? O3A Zn1P O2A 64.17(11) 5 . ? O3A Zn1P O2A 64.17(11) . . ? O3B Zn1P O2A 60.70(3) . . ? O3B Zn1P O2A 171.7(3) 9 . ? O3B Zn1P O2A 60.70(3) 5 . ? O5 Zn1P O2A 91.9(2) 32_544 . ? O5 Zn1P O2A 91.9(2) 76_445 . ? O5 Zn1P O2A 58.1(4) 60_454 . ? Zn1P Zn1' O5 149.2(5) . 60_454 ? Zn1P Zn1' O5 149.2(5) . 32_544 ? O5 Zn1' O5 52.7(8) 60_454 32_544 ? Zn1P Zn1' O5 149.2(5) . 76_445 ? O5 Zn1' O5 52.7(8) 60_454 76_445 ? O5 Zn1' O5 52.7(8) 32_544 76_445 ? Zn1P Zn1' O3B 67.03(11) . 5 ? O5 Zn1' O3B 95.7(3) 60_454 5 ? O5 Zn1' O3B 143.8(5) 32_544 5 ? O5 Zn1' O3B 95.7(3) 76_445 5 ? Zn1P Zn1' O3B 67.03(11) . 9 ? O5 Zn1' O3B 143.8(5) 60_454 9 ? O5 Zn1' O3B 95.7(3) 32_544 9 ? O5 Zn1' O3B 95.7(3) 76_445 9 ? O3B Zn1' O3B 105.75(12) 5 9 ? Zn1P Zn1' O3B 67.02(11) . . ? O5 Zn1' O3B 95.7(3) 60_454 . ? O5 Zn1' O3B 95.7(3) 32_544 . ? O5 Zn1' O3B 143.8(5) 76_445 . ? O3B Zn1' O3B 105.75(12) 5 . ? O3B Zn1' O3B 105.75(12) 9 . ? Zn1P Zn1' O3A 55.9(3) . 5 ? O5 Zn1' O3A 105.6(4) 60_454 5 ? O5 Zn1' O3A 154.9(6) 32_544 5 ? O5 Zn1' O3A 105.6(4) 76_445 5 ? O3B Zn1' O3A 11.1(3) 5 5 ? O3B Zn1' O3A 99.3(2) 9 5 ? O3B Zn1' O3A 99.3(2) . 5 ? Zn1P Zn1' O3A 55.9(3) . 9 ? O5 Zn1' O3A 154.9(6) 60_454 9 ? O5 Zn1' O3A 105.6(4) 32_544 9 ? O5 Zn1' O3A 105.6(4) 76_445 9 ? O3B Zn1' O3A 99.3(2) 5 9 ? O3B Zn1' O3A 11.1(3) 9 9 ? O3B Zn1' O3A 99.3(2) . 9 ? O3A Zn1' O3A 91.6(4) 5 9 ? Zn1P Zn1' O3A 55.9(3) . . ? O5 Zn1' O3A 105.6(4) 60_454 . ? O5 Zn1' O3A 105.6(4) 32_544 . ? O5 Zn1' O3A 154.9(6) 76_445 . ? O3B Zn1' O3A 99.3(2) 5 . ? O3B Zn1' O3A 99.3(2) 9 . ? O3B Zn1' O3A 11.1(3) . . ? O3A Zn1' O3A 91.6(4) 5 . ? O3A Zn1' O3A 91.6(4) 9 . ? Zn1P Zn1' Zn1 0.0(4) . . ? O5 Zn1' Zn1 149.2(5) 60_454 . ? O5 Zn1' Zn1 149.2(5) 32_544 . ? O5 Zn1' Zn1 149.2(5) 76_445 . ? O3B Zn1' Zn1 67.03(11) 5 . ? O3B Zn1' Zn1 67.03(11) 9 . ? O3B Zn1' Zn1 67.02(11) . . ? O3A Zn1' Zn1 55.9(3) 5 . ? O3A Zn1' Zn1 55.9(3) 9 . ? O3A Zn1' Zn1 55.9(3) . . ? Zn1P Zn1' O2A 84.66(13) . . ? O5 Zn1' O2A 64.5(5) 60_454 . ? O5 Zn1' O2A 109.6(2) 32_544 . ? O5 Zn1' O2A 109.6(2) 76_445 . ? O3B Zn1' O2A 60.35(5) 5 . ? O3B Zn1' O2A 151.69(18) 9 . ? O3B Zn1' O2A 60.35(5) . . ? O3A Zn1' O2A 62.33(10) 5 . ? O3A Zn1' O2A 140.6(3) 9 . ? O3A Zn1' O2A 62.32(10) . . ? Zn1 Zn1' O2A 84.66(13) . . ? Zn2P Zn2' Zn2 0.0(2) . . ? Zn2P Zn2' O2A 73.8(4) . 34_544 ? Zn2 Zn2' O2A 73.8(4) . 34_544 ? Zn2P Zn2' O2A 73.8(4) . 78_445 ? Zn2 Zn2' O2A 73.8(4) . 78_445 ? O2A Zn2' O2A 112.6(3) 34_544 78_445 ? Zn2P Zn2' O2A 73.8(4) . 50_454 ? Zn2 Zn2' O2A 73.8(4) . 50_454 ? O2A Zn2' O2A 112.6(3) 34_544 50_454 ? O2A Zn2' O2A 112.6(3) 78_445 50_454 ? Zn2P Zn2' O5 160.3(5) . . ? Zn2 Zn2' O5 160.3(5) . . ? O2A Zn2' O5 115.1(4) 34_544 . ? O2A Zn2' O5 86.5(6) 78_445 . ? O2A Zn2' O5 115.1(4) 50_454 . ? Zn2P Zn2' O5 160.3(5) . 9 ? Zn2 Zn2' O5 160.3(5) . 9 ? O2A Zn2' O5 115.1(4) 34_544 9 ? O2A Zn2' O5 115.1(4) 78_445 9 ? O2A Zn2' O5 86.5(6) 50_454 9 ? O5 Zn2' O5 34.0(8) . 9 ? Zn2P Zn2' O5 160.3(5) . 5 ? Zn2 Zn2' O5 160.3(5) . 5 ? O2A Zn2' O5 86.5(6) 34_544 5 ? O2A Zn2' O5 115.1(4) 78_445 5 ? O2A Zn2' O5 115.1(4) 50_454 5 ? O5 Zn2' O5 34.0(8) . 5 ? O5 Zn2' O5 34.0(8) 9 5 ? Zn2P Zn2' O2B 71.7(3) . 34_544 ? Zn2 Zn2' O2B 71.7(3) . 34_544 ? O2A Zn2' O2B 2.1(7) 34_544 34_544 ? O2A Zn2' O2B 111.63(8) 78_445 34_544 ? O2A Zn2' O2B 111.63(8) 50_454 34_544 ? O5 Zn2' O2B 117.1(4) . 34_544 ? O5 Zn2' O2B 117.1(4) 9 34_544 ? O5 Zn2' O2B 88.6(6) 5 34_544 ? Zn2P Zn2' O2B 71.7(3) . 78_445 ? Zn2 Zn2' O2B 71.7(3) . 78_445 ? O2A Zn2' O2B 111.63(8) 34_544 78_445 ? O2A Zn2' O2B 2.1(7) 78_445 78_445 ? O2A Zn2' O2B 111.63(8) 50_454 78_445 ? O5 Zn2' O2B 88.6(6) . 78_445 ? O5 Zn2' O2B 117.1(4) 9 78_445 ? O5 Zn2' O2B 117.1(4) 5 78_445 ? O2B Zn2' O2B 110.6(3) 34_544 78_445 ? Zn2P Zn2' O2B 71.7(3) . 50_454 ? Zn2 Zn2' O2B 71.7(3) . 50_454 ? O2A Zn2' O2B 111.63(8) 34_544 50_454 ? O2A Zn2' O2B 111.63(8) 78_445 50_454 ? O2A Zn2' O2B 2.1(7) 50_454 50_454 ? O5 Zn2' O2B 117.1(4) . 50_454 ? O5 Zn2' O2B 88.6(6) 9 50_454 ? O5 Zn2' O2B 117.1(4) 5 50_454 ? O2B Zn2' O2B 110.6(3) 34_544 50_454 ? O2B Zn2' O2B 110.6(3) 78_445 50_454 ? Zn2P Zn2' O4 74.66(5) . 34_544 ? Zn2 Zn2' O4 74.66(5) . 34_544 ? O2A Zn2' O4 148.5(4) 34_544 34_544 ? O2A Zn2' O4 57.53(5) 78_445 34_544 ? O2A Zn2' O4 57.53(5) 50_454 34_544 ? O5 Zn2' O4 95.0(3) . 34_544 ? O5 Zn2' O4 95.0(3) 9 34_544 ? O5 Zn2' O4 125.1(5) 5 34_544 ? O2B Zn2' O4 146.4(3) 34_544 34_544 ? O2B Zn2' O4 57.26(4) 78_445 34_544 ? O2B Zn2' O4 57.26(4) 50_454 34_544 ? Zn2' Zn2P Zn2 180.0(4) . . ? Zn2' Zn2P O2A 83.2(4) . 78_445 ? Zn2 Zn2P O2A 96.8(4) . 78_445 ? Zn2' Zn2P O2A 83.2(4) . 50_454 ? Zn2 Zn2P O2A 96.8(4) . 50_454 ? O2A Zn2P O2A 118.60(15) 78_445 50_454 ? Zn2' Zn2P O2A 83.2(4) . 34_544 ? Zn2 Zn2P O2A 96.8(4) . 34_544 ? O2A Zn2P O2A 118.60(15) 78_445 34_544 ? O2A Zn2P O2A 118.60(15) 50_454 34_544 ? Zn2' Zn2P O2B 88.5(3) . 34_544 ? Zn2 Zn2P O2B 91.5(3) . 34_544 ? O2A Zn2P O2B 119.55(4) 78_445 34_544 ? O2A Zn2P O2B 119.55(4) 50_454 34_544 ? O2A Zn2P O2B 5.4(6) 34_544 34_544 ? Zn2' Zn2P O2B 88.5(3) . 78_445 ? Zn2 Zn2P O2B 91.5(3) . 78_445 ? O2A Zn2P O2B 5.4(6) 78_445 78_445 ? O2A Zn2P O2B 119.55(4) 50_454 78_445 ? O2A Zn2P O2B 119.55(4) 34_544 78_445 ? O2B Zn2P O2B 119.93(3) 34_544 78_445 ? Zn2' Zn2P O2B 88.5(3) . 50_454 ? Zn2 Zn2P O2B 91.5(3) . 50_454 ? O2A Zn2P O2B 119.55(4) 78_445 50_454 ? O2A Zn2P O2B 5.4(6) 50_454 50_454 ? O2A Zn2P O2B 119.55(4) 34_544 50_454 ? O2B Zn2P O2B 119.93(3) 34_544 50_454 ? O2B Zn2P O2B 119.93(3) 78_445 50_454 ? Zn2' Zn2P O5 14.2(4) . . ? Zn2 Zn2P O5 165.8(4) . . ? O2A Zn2P O5 68.9(5) 78_445 . ? O2A Zn2P O5 90.4(4) 50_454 . ? O2A Zn2P O5 90.4(4) 34_544 . ? O2B Zn2P O5 95.6(4) 34_544 . ? O2B Zn2P O5 74.3(5) 78_445 . ? O2B Zn2P O5 95.6(4) 50_454 . ? Zn2' Zn2P O5 14.2(4) . 9 ? Zn2 Zn2P O5 165.8(4) . 9 ? O2A Zn2P O5 90.4(4) 78_445 9 ? O2A Zn2P O5 68.9(5) 50_454 9 ? O2A Zn2P O5 90.4(4) 34_544 9 ? O2B Zn2P O5 95.6(4) 34_544 9 ? O2B Zn2P O5 95.6(4) 78_445 9 ? O2B Zn2P O5 74.3(5) 50_454 9 ? O5 Zn2P O5 24.6(6) . 9 ? Zn2' Zn2P O5 14.2(4) . 5 ? Zn2 Zn2P O5 165.8(4) . 5 ? O2A Zn2P O5 90.4(4) 78_445 5 ? O2A Zn2P O5 90.4(4) 50_454 5 ? O2A Zn2P O5 68.9(5) 34_544 5 ? O2B Zn2P O5 74.3(5) 34_544 5 ? O2B Zn2P O5 95.6(4) 78_445 5 ? O2B Zn2P O5 95.6(4) 50_454 5 ? O5 Zn2P O5 24.6(6) . 5 ? O5 Zn2P O5 24.6(6) 9 5 ? Zn2' Zn2P O4 90.66(11) . 34_544 ? Zn2 Zn2P O4 89.34(11) . 34_544 ? O2A Zn2P O4 60.33(3) 78_445 34_544 ? O2A Zn2P O4 60.33(3) 50_454 34_544 ? O2A Zn2P O4 173.8(4) 34_544 34_544 ? O2B Zn2P O4 179.2(4) 34_544 34_544 ? O2B Zn2P O4 60.036(9) 78_445 34_544 ? O2B Zn2P O4 60.032(9) 50_454 34_544 ? O5 Zn2P O4 83.6(2) . 34_544 ? O5 Zn2P O4 83.6(2) 9 34_544 ? O5 Zn2P O4 104.9(4) 5 34_544 ? Zn2P Zn2 Zn2' 0.0(5) . . ? Zn2P Zn2 O2A 57.9(3) . 78_445 ? Zn2' Zn2 O2A 57.9(3) . 78_445 ? Zn2P Zn2 O2A 57.9(3) . 34_544 ? Zn2' Zn2 O2A 57.9(3) . 34_544 ? O2A Zn2 O2A 94.4(4) 78_445 34_544 ? Zn2P Zn2 O2A 57.9(3) . 50_454 ? Zn2' Zn2 O2A 57.9(3) . 50_454 ? O2A Zn2 O2A 94.4(4) 78_445 50_454 ? O2A Zn2 O2A 94.4(4) 34_544 50_454 ? Zn2P Zn2 O2B 65.0(3) . 34_544 ? Zn2' Zn2 O2B 65.0(3) . 34_544 ? O2A Zn2 O2B 99.2(3) 78_445 34_544 ? O2A Zn2 O2B 7.1(4) 34_544 34_544 ? O2A Zn2 O2B 99.2(3) 50_454 34_544 ? Zn2P Zn2 O2B 65.0(3) . 78_445 ? Zn2' Zn2 O2B 65.0(3) . 78_445 ? O2A Zn2 O2B 7.1(4) 78_445 78_445 ? O2A Zn2 O2B 99.2(3) 34_544 78_445 ? O2A Zn2 O2B 99.2(3) 50_454 78_445 ? O2B Zn2 O2B 103.5(4) 34_544 78_445 ? Zn2P Zn2 O2B 65.0(3) . 50_454 ? Zn2' Zn2 O2B 65.0(3) . 50_454 ? O2A Zn2 O2B 99.2(3) 78_445 50_454 ? O2A Zn2 O2B 99.2(3) 34_544 50_454 ? O2A Zn2 O2B 7.1(4) 50_454 50_454 ? O2B Zn2 O2B 103.5(4) 34_544 50_454 ? O2B Zn2 O2B 103.5(4) 78_445 50_454 ? Zn2P Zn2 O4 72.63(18) . 34_544 ? Zn2' Zn2 O4 72.63(18) . 34_544 ? O2A Zn2 O4 55.74(8) 78_445 34_544 ? O2A Zn2 O4 130.6(5) 34_544 34_544 ? O2A Zn2 O4 55.74(8) 50_454 34_544 ? O2B Zn2 O4 137.7(5) 34_544 34_544 ? O2B Zn2 O4 56.04(8) 78_445 34_544 ? O2B Zn2 O4 56.04(8) 50_454 34_544 ? Zn2P Zn2 O4 72.62(18) . 78_445 ? Zn2' Zn2 O4 72.62(18) . 78_445 ? O2A Zn2 O4 130.6(5) 78_445 78_445 ? O2A Zn2 O4 55.74(8) 34_544 78_445 ? O2A Zn2 O4 55.74(8) 50_454 78_445 ? O2B Zn2 O4 56.03(8) 34_544 78_445 ? O2B Zn2 O4 137.7(5) 78_445 78_445 ? O2B Zn2 O4 56.04(8) 50_454 78_445 ? O4 Zn2 O4 111.48(17) 34_544 78_445 ? Zn2P Zn2 O4 72.63(18) . 50_454 ? Zn2' Zn2 O4 72.63(18) . 50_454 ? O2A Zn2 O4 55.74(8) 78_445 50_454 ? O2A Zn2 O4 55.74(8) 34_544 50_454 ? O2A Zn2 O4 130.6(5) 50_454 50_454 ? O2B Zn2 O4 56.04(8) 34_544 50_454 ? O2B Zn2 O4 56.04(8) 78_445 50_454 ? O2B Zn2 O4 137.7(5) 50_454 50_454 ? O4 Zn2 O4 111.49(17) 34_544 50_454 ? O4 Zn2 O4 111.48(17) 78_445 50_454 ? Zn2P Zn2 Si 67.95(17) . 83_445 ? Zn2' Zn2 Si 67.95(17) . 83_445 ? O2A Zn2 Si 28.26(5) 78_445 83_445 ? O2A Zn2 Si 78.65(17) 34_544 83_445 ? O2A Zn2 Si 118.7(4) 50_454 83_445 ? O2B Zn2 Si 81.04(16) 34_544 83_445 ? O2B Zn2 Si 27.44(4) 78_445 83_445 ? O2B Zn2 Si 124.6(4) 50_454 83_445 ? O4 Zn2 Si 83.40(11) 34_544 83_445 ? O4 Zn2 Si 130.9(3) 78_445 83_445 ? O4 Zn2 Si 28.75(4) 50_454 83_445 ? O5 O5 O5 60.003(4) 5 9 ? O5 O5 O5 120.000(3) 5 34_544 ? O5 O5 O5 90.010(3) 9 34_544 ? O5 O5 O5 89.986(2) 5 55_454 ? O5 O5 O5 119.997(3) 9 55_454 ? O5 O5 O5 59.997(2) 34_544 55_454 ? O5 O5 Zn1' 148.10(16) 5 76_445 ? O5 O5 Zn1' 148.13(16) 9 76_445 ? O5 O5 Zn1' 63.7(4) 34_544 76_445 ? O5 O5 Zn1' 63.7(4) 55_454 76_445 ? O5 O5 Zn2' 73.0(4) 5 . ? O5 O5 Zn2' 73.0(4) 9 . ? O5 O5 Zn2' 150.013(5) 34_544 . ? O5 O5 Zn2' 149.988(5) 55_454 . ? Zn1' O5 Zn2' 121.1(9) 76_445 . ? O5 O5 Zn1P 149.86(3) 5 76_445 ? O5 O5 Zn1P 149.89(3) 9 76_445 ? O5 O5 Zn1P 70.8(3) 34_544 76_445 ? O5 O5 Zn1P 70.8(3) 55_454 76_445 ? Zn1' O5 Zn1P 8.44(15) 76_445 76_445 ? Zn2' O5 Zn1P 112.6(7) . 76_445 ? O5 O5 Zn2P 77.7(3) 5 . ? O5 O5 Zn2P 77.7(3) 9 . ? O5 O5 Zn2P 149.60(5) 34_544 . ? O5 O5 Zn2P 149.58(5) 55_454 . ? Zn1' O5 Zn2P 115.6(7) 76_445 . ? Zn2' O5 Zn2P 5.48(14) . . ? Zn1P O5 Zn2P 107.1(6) 76_445 . ? O5 O5 Zn1' 78.9(2) 5 50_454 ? O5 O5 Zn1' 20.1(3) 9 50_454 ? O5 O5 Zn1' 73.2(3) 34_544 50_454 ? O5 O5 Zn1' 117.2(3) 55_454 50_454 ? Zn1' O5 Zn1' 128.0(3) 76_445 50_454 ? Zn2' O5 Zn1' 84.2(4) . 50_454 ? Zn1P O5 Zn1' 130.3(3) 76_445 50_454 ? Zn2P O5 Zn1' 87.9(4) . 50_454 ? O5 O5 Zn1' 20.1(3) 5 27_544 ? O5 O5 Zn1' 78.8(2) 9 27_544 ? O5 O5 Zn1' 117.2(3) 34_544 27_544 ? O5 O5 Zn1' 73.2(3) 55_454 27_544 ? Zn1' O5 Zn1' 128.0(3) 76_445 27_544 ? Zn2' O5 Zn1' 84.2(4) . 27_544 ? Zn1P O5 Zn1' 130.3(3) 76_445 27_544 ? Zn2P O5 Zn1' 87.9(4) . 27_544 ? Zn1' O5 Zn1' 96.4(5) 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 O1 1.6277(9) 101 ? Si O4 1.6288(6) 55_454 ? Si O2B 1.633(4) 9 ? Si O3B 1.704(2) . ? Si O2A 1.727(4) 9 ? Si O3A 1.750(7) . ? Si Zn1P 3.0784(5) . ? Si Zn2P 3.1232(6) 27_544 ? Si Zn2' 3.1522(5) 27_544 ? Si Zn1' 3.2245(7) . ? Si Zn2 3.356(4) 27_544 ? Si Zn1 3.4396(4) . ? O2A Zn2P 1.947(9) 50_454 ? O2A Zn2' 2.012(6) 50_454 ? O2A Zn2 2.281(13) 50_454 ? O2A Zn1' 2.969(13) . ? O2A Zn1P 2.997(13) . ? O2B Zn2P 2.226(9) 50_454 ? O2B Zn2' 2.343(8) 50_454 ? O2B Zn2 2.455(12) 50_454 ? O2B Zn1P 3.027(13) . ? O2B Zn1' 3.083(12) . ? O3A Zn1P 1.913(17) . ? O3A Zn1' 2.236(16) . ? O3A Zn1 2.249(14) . ? O3B Zn1P 1.925(4) . ? O3B Zn1' 2.091(4) . ? O3B Zn1 2.577(4) . ? O4 Zn2P 3.0159(18) 50_454 ? O4 Zn2' 3.1272(19) 50_454 ? O4 Zn2 3.160(4) 50_454 ? Zn1 Zn1P 1.756(4) 97 ? Zn1 Zn1P 1.756(4) . ? Zn1 Zn1' 2.5302(18) 97 ? Zn1 Zn1' 2.5303(18) . ? Zn1P Zn1' 0.774(4) . ? Zn1P O5 2.702(18) 32_544 ? Zn1P O5 2.702(18) 76_445 ? Zn1P O5 2.702(18) 60_454 ? Zn1' O5 2.007(17) 60_454 ? Zn1' O5 2.007(17) 32_544 ? Zn1' O5 2.007(17) 76_445 ? Zn2' Zn2P 0.793(5) . ? Zn2' Zn2 1.771(11) . ? Zn2' O5 2.043(17) . ? Zn2' O5 2.043(17) 9 ? Zn2' O5 2.043(17) 5 ? Zn2P Zn2 0.978(11) . ? Zn2P O5 2.802(18) . ? Zn2P O5 2.802(18) 9 ? Zn2P O5 2.802(18) 5 ? O5 O5 1.19(3) 5 ? O5 O5 1.19(3) 9 ? O5 O5 1.78(3) 34_544 ? O5 O5 1.78(3) 55_454 ?