#------------------------------------------------------------------------------ #$Date: 2022-03-18 04:54:17 +0200 (Fri, 18 Mar 2022) $ #$Revision: 273774 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/89/2108946.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_2108946 _cell_angle_alpha 90.000 _cell_angle_beta 96.276 _cell_angle_gamma 90.000 _cell_length_a 8.7976 _cell_length_b 14.3310 _cell_length_c 7.9860 _exptl_crystal_F_000 408.00 _reflns_d_resolution_high 0.8215 _cod_data_source_file xk50910.1GPa_0hUVsup2.hkl _cod_data_source_block 0.1GPa_0hUV _shelx_title ' 0minUV in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 51.79 _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 3 0 0 14.15 17.25 0.60 o 4 0 0 266.78 270.93 2.93 o 5 0 0 2.05 2.12 0.41 o 6 0 0 17.10 21.54 0.89 o 7 0 0 8.72 8.55 1.00 o 8 0 0 76.63 85.93 2.48 o 9 0 0 168.68 148.72 4.05 o 10 0 0 0.65 5.85 2.67 o 3 1 0 25.18 30.46 0.52 o 4 1 0 2273.86 2264.77 5.05 o 5 1 0 563.93 624.82 3.27 o 6 1 0 25.76 40.12 0.86 o 7 1 0 0.44 0.22 0.47 o 8 1 0 35.56 40.99 1.29 o 9 1 0 17.62 13.64 0.94 o 10 1 0 0.01 -0.29 3.61 o 3 2 0 121.53 120.05 1.15 o 4 2 0 42.39 42.28 0.66 o 5 2 0 14.62 19.87 0.58 o 6 2 0 29.89 20.39 0.65 o 7 2 0 0.87 1.72 0.47 o 8 2 0 13.28 11.87 0.80 o 9 2 0 3.08 3.71 0.71 o 10 2 0 0.07 0.21 1.79 o 3 3 0 0.24 -0.42 0.45 o 4 3 0 870.51 938.02 5.30 o 5 3 0 109.72 113.37 1.62 o 6 3 0 14.79 23.51 0.79 o 7 3 0 0.67 0.75 0.49 o 8 3 0 1.56 0.55 0.58 o 9 3 0 0.05 0.51 0.67 o 10 3 0 0.34 4.49 3.24 o 5 4 0 4.38 3.24 0.57 o 6 4 0 1.61 2.26 0.58 o 7 4 0 4.93 4.53 0.63 o 8 4 0 29.76 22.92 1.55 o 9 4 0 50.93 48.42 4.34 o -10 1 1 0.86 -0.47 2.03 o -9 1 1 2.27 0.96 1.13 o -8 1 1 3.54 5.14 1.18 o -7 1 1 0.35 0.53 0.40 o -6 1 1 0.97 1.14 0.33 o -5 1 1 1.83 1.37 0.26 o -4 1 1 11.01 8.52 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