#------------------------------------------------------------------------------ #$Date: 2016-05-28 04:27:36 +0300 (Sat, 28 May 2016) $ #$Revision: 183116 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/75/2107536.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2107536 _cell_angle_alpha 90.000 _cell_angle_beta 99.002 _cell_angle_gamma 90.000 _cell_length_a 11.8082 _cell_length_b 4.8032 _cell_length_c 16.2464 _exptl_crystal_F_000 424.00 _reflns_d_resolution_high 0.8226 _cod_data_source_file bi5048solid_solution_293K_Cusup3.hkl _cod_data_source_block solid_solution_293K_Cu _shelx_title ' 1156aCu_0m in P21/c RT Messung' _shelx_refln_list_code 4 _shelx_f_calc_maximum 154.26 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 2972.89 3014.32 66.39 o 2 0 0 1505.84 1481.19 27.08 o 3 0 0 17.13 24.69 0.63 o 4 0 0 5.61 9.44 0.38 o 5 0 0 78.24 81.09 2.00 o 6 0 0 104.73 113.24 2.40 o 7 0 0 501.51 453.00 8.69 o 8 0 0 0.10 1.13 0.58 o 9 0 0 8.96 8.67 0.85 o 10 0 0 0.42 0.00 0.56 o 11 0 0 135.49 136.85 2.86 o 12 0 0 106.52 118.30 4.74 o 13 0 0 0.58 -0.12 0.63 o 1 1 0 62.63 77.24 1.17 o 2 1 0 1084.54 1113.27 14.86 o 3 1 0 406.03 420.30 6.35 o 4 1 0 26.49 29.57 0.67 o 5 1 0 3.44 8.14 0.32 o 6 1 0 33.05 33.79 0.62 o 7 1 0 7.77 6.85 0.36 o 8 1 0 7.52 6.33 0.51 o 9 1 0 1.59 0.99 0.48 o 10 1 0 39.28 42.94 1.02 o 11 1 0 4.04 3.34 0.47 o 12 1 0 0.71 1.30 0.66 o 13 1 0 2.48 3.24 0.71 o 0 2 0 712.38 703.56 12.70 o 1 2 0 51.86 50.49 0.94 o 2 2 0 344.81 363.08 4.85 o 3 2 0 790.90 845.73 11.13 o 4 2 0 272.11 286.91 3.66 o 5 2 0 29.82 25.35 0.53 o 6 2 0 20.66 18.27 0.72 o 7 2 0 54.85 45.25 1.59 o 8 2 0 1.33 1.40 0.54 o 9 2 0 35.94 36.34 1.05 o 10 2 0 13.25 12.63 0.81 o 11 2 0 0.56 0.78 0.61 o 12 2 0 2.43 1.33 0.65 o 13 2 0 0.35 0.42 0.50 o 1 3 0 466.51 455.77 5.63 o 2 3 0 38.31 31.33 0.63 o 3 3 0 2.37 2.74 0.30 o 4 3 0 0.83 0.92 0.36 o 5 3 0 66.09 69.05 1.83 o 6 3 0 0.32 0.12 0.50 o 7 3 0 37.17 39.53 0.85 o 8 3 0 4.80 4.17 0.44 o 9 3 0 0.28 -0.13 0.55 o 10 3 0 4.37 6.60 0.78 o 11 3 0 2.91 3.25 0.51 o 12 3 0 0.32 1.13 0.54 o 0 4 0 8.45 8.23 0.60 o 1 4 0 1.98 1.98 0.32 o 2 4 0 6.64 5.60 0.35 o 3 4 0 4.82 4.53 0.37 o 4 4 0 51.90 50.71 0.95 o 5 4 0 0.13 -0.26 0.37 o 6 4 0 10.51 11.76 0.49 o 7 4 0 1.12 1.47 0.46 o 8 4 0 0.05 -0.39 0.55 o 9 4 0 2.84 1.82 0.43 o 10 4 0 0.15 -0.24 0.42 o 1 5 0 0.24 0.73 0.57 o 2 5 0 1.12 1.67 0.52 o 3 5 0 58.29 59.53 3.25 o 4 5 0 4.11 3.83 0.46 o 5 5 0 0.33 0.56 0.43 o 6 5 0 2.34 1.71 0.41 o 7 5 0 4.27 4.44 0.47 o -14 1 1 1.29 1.40 0.77 o -13 1 1 1.02 -0.38 0.97 o -12 1 1 0.35 0.09 0.60 o -11 1 1 0.38 0.37 0.49 o -10 1 1 68.01 67.35 1.50 o -9 1 1 91.23 89.03 2.06 o -8 1 1 28.57 28.85 0.91 o -7 1 1 31.06 29.83 0.63 o -6 1 1 2.50 7.32 0.30 o -5 1 1 474.84 479.48 6.43 o -4 1 1 143.89 137.38 2.10 o -3 1 1 2.84 3.60 0.24 o -2 1 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1175.52 1218.03 24.29 o 2 0 2 356.42 309.72 7.64 o 3 0 2 118.08 119.29 2.71 o 4 0 2 1742.31 1779.28 37.88 o 5 0 2 82.92 79.05 1.91 o 6 0 2 7.39 4.99 0.38 o 7 0 2 28.03 26.42 0.69 o 8 0 2 66.65 61.47 1.69 o 9 0 2 14.81 14.80 1.42 o 10 0 2 0.07 0.42 0.56 o 11 0 2 13.14 14.30 1.29 o 12 0 2 23.71 32.58 1.48 o 13 0 2 1.08 0.91 0.82 o -14 1 2 0.31 1.05 0.77 o -13 1 2 0.48 0.96 0.80 o -12 1 2 0.63 -0.30 0.73 o -11 1 2 8.16 8.64 0.50 o -10 1 2 72.03 69.37 1.24 o -9 1 2 27.30 22.82 1.07 o -8 1 2 37.25 37.67 1.52 o -7 1 2 186.95 174.57 3.82 o -6 1 2 2.71 4.04 0.31 o -5 1 2 29.30 29.54 0.71 o -4 1 2 67.94 75.94 1.43 o -3 1 2 341.51 344.69 4.86 o -2 1 2 194.01 185.12 2.74 o -1 1 2 7.12 11.61 0.33 o 0 1 2 444.82 458.24 5.62 o 1 1 2 5086.74 5106.71 64.63 o 2 1 2 11812.25 11876.15 161.70 o 3 1 2 3.21 2.79 0.24 o 4 1 2 468.32 505.77 6.73 o 5 1 2 561.67 531.24 6.71 o 6 1 2 4.68 5.71 0.26 o 7 1 2 21.84 23.49 0.61 o 8 1 2 15.00 12.97 0.97 o 9 1 2 19.79 21.34 0.72 o 10 1 2 1.30 0.88 0.40 o 11 1 2 2.81 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2.58 2.23 0.40 o 6 3 3 87.53 89.07 1.15 o 7 3 3 89.53 88.12 1.33 o 8 3 3 5.75 4.63 0.47 o 9 3 3 0.59 0.92 0.43 o 10 3 3 3.09 3.66 0.52 o 11 3 3 0.61 0.99 0.38 o -10 4 3 2.14 2.23 0.36 o -9 4 3 0.18 -0.47 0.47 o -8 4 3 0.01 0.84 0.56 o -7 4 3 2.51 1.43 0.48 o -6 4 3 4.57 3.68 0.42 o -5 4 3 0.88 0.94 0.40 o -4 4 3 1.96 2.45 0.39 o -3 4 3 33.95 33.07 0.78 o -2 4 3 0.83 0.75 0.36 o -1 4 3 7.94 8.97 0.55 o 0 4 3 24.41 20.41 0.79 o 1 4 3 105.64 105.46 3.87 o 2 4 3 1.74 1.31 0.35 o 3 4 3 5.45 5.69 0.33 o 4 4 3 8.13 9.10 0.40 o 5 4 3 7.42 6.47 0.39 o 6 4 3 0.12 -0.35 0.38 o 7 4 3 1.31 1.51 0.46 o 8 4 3 8.50 11.05 0.49 o 9 4 3 0.14 0.11 0.39 o -7 5 3 2.36 2.50 0.35 o -6 5 3 0.58 1.04 0.40 o -5 5 3 0.38 0.32 0.41 o -4 5 3 7.58 8.09 1.07 o -3 5 3 23.73 21.98 1.25 o -2 5 3 45.56 45.59 1.70 o -1 5 3 124.30 134.23 3.83 o 0 5 3 24.60 25.99 1.32 o 1 5 3 0.23 -0.41 0.47 o 2 5 3 0.62 -0.15 0.69 o 3 5 3 11.87 11.78 0.63 o 4 5 3 2.95 2.51 0.47 o 5 5 3 0.02 -0.43 0.47 o 6 5 3 4.61 6.51 1.08 o -14 0 4 0.10 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