#------------------------------------------------------------------------------ #$Date: 2018-12-07 05:37:15 +0200 (Fri, 07 Dec 2018) $ #$Revision: 212436 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/83/2108347.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_2108347 _cell_angle_alpha 90.000 _cell_angle_beta 94.955 _cell_angle_gamma 90.000 _cell_length_a 38.0763 _cell_length_b 6.2308 _cell_length_c 11.1897 _exptl_crystal_F_000 3584.00 _reflns_d_resolution_high 0.6656 _cod_data_source_file ps5074CuPbOXO3sup9.hkl _cod_data_source_block CuPbOXO3 _shelx_title ' c2m in C2/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1941.18 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z' 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 2 0 0 1672.08 13.40 184.58 o 4 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428.69 o 5 1 0 1753.35 2443.41 389.32 o 7 1 0 29656.36 29745.86 1025.69 o 9 1 0 32703.46 33378.38 819.81 o 11 1 0 84567.41 80804.12 1557.59 o 13 1 0 314738.81 301818.34 5011.40 o 15 1 0 134709.98 123777.46 2287.38 o 17 1 0 245280.28 231499.42 3986.10 o 19 1 0 9500.35 10205.64 889.50 o 21 1 0 11802.02 10980.24 817.66 o 23 1 0 10172.27 9943.30 919.37 o 25 1 0 125067.18 117026.18 4108.91 o 27 1 0 38970.30 37679.05 1207.25 o 29 1 0 16138.95 16964.34 1108.70 o 31 1 0 3307.63 3145.70 865.87 o 33 1 0 43076.04 45452.02 1688.47 o 35 1 0 18945.88 20522.86 1346.84 o 37 1 0 121023.16 135501.72 3684.73 o 39 1 0 6831.03 6381.23 2019.31 o 41 1 0 728.69 175.03 1161.75 o 43 1 0 3646.65 5249.51 1337.68 o 45 1 0 3467.40 4628.36 1365.98 o 47 1 0 134.87 -879.62 1560.62 o 49 1 0 2047.17 2809.05 1649.44 o 51 1 0 25.40 -1564.16 1564.16 o 53 1 0 22714.54 22813.70 2548.85 o 55 1 0 89.82 27.95 2309.72 o 0 2 0 3087273.25 3631537.00 106386.12 o 2 2 0 62.37 410.13 316.03 o 4 2 0 282698.81 283716.53 5551.91 o 6 2 0 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