#------------------------------------------------------------------------------ #$Date: 2022-08-20 04:55:46 +0300 (Sat, 20 Aug 2022) $ #$Revision: 277338 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/56/75/1567506.hkl $ #------------------------------------------------------------------------------ # # 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_1567506 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.2510(2) _cell_length_b 4.2510(2) _cell_length_c 11.772(12) _exptl_crystal_F_000 330 _reflns_d_resolution_high 0.4840 _cod_data_source_file ok5080Isup2.hkl _cod_data_source_block I _shelx_title 'FeBO3 P26=103.3(1) GPa' _shelx_refln_list_code 4 _shelx_f_calc_maximum 100.07 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z+1/2' 'x-y, -y, -z+1/2' '-x, -x+y, -z+1/2' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z+1/2' '-x+y, y, z+1/2' 'x, x-y, z+1/2' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'y+2/3, x+1/3, -z+5/6' 'x-y+2/3, -y+1/3, -z+5/6' '-x+2/3, -x+y+1/3, -z+5/6' '-x+2/3, -y+1/3, -z+1/3' 'y+2/3, -x+y+1/3, -z+1/3' 'x-y+2/3, x+1/3, -z+1/3' '-y+2/3, -x+1/3, z+5/6' '-x+y+2/3, y+1/3, z+5/6' 'x+2/3, x-y+1/3, z+5/6' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'y+1/3, x+2/3, -z+1/6' 'x-y+1/3, -y+2/3, -z+1/6' '-x+1/3, -x+y+2/3, -z+1/6' '-x+1/3, -y+2/3, -z+2/3' 'y+1/3, -x+y+2/3, -z+2/3' 'x-y+1/3, x+2/3, -z+2/3' '-y+1/3, -x+2/3, z+1/6' '-x+y+1/3, y+2/3, z+1/6' 'x+1/3, x-y+2/3, z+1/6' 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 -1 0 6753.94 7937.47 40.59 o 2 0 2 10355.20 10014.10 89.45 o 3 -1 -2 6341.89 6063.14 42.10 o 3 -1 1 173.31 198.36 6.33 o 4 -2 0 3314.57 3384.27 36.88 o 4 -2 3 954.11 945.76 21.67 o 4 -1 -1 42.32 34.40 2.99 o 4 -1 2 2486.59 2524.44 29.57 o 4 0 -2 1506.50 1425.03 35.15 o 4 0 4 5698.49 4773.21 104.56 o 5 -2 -2 3051.25 3074.66 38.14 o 5 -2 1 71.03 47.73 5.10 o 5 -2 4 2505.99 2444.26 45.97 o 5 -1 -3 439.91 393.60 15.20 o 5 -1 0 2032.88 2354.72 36.85 o 5 -1 3 439.91 439.74 14.81 o 5 0 -4 1783.06 1472.08 56.44 o 5 0 2 2367.66 2553.52 55.03 o 6 -3 0 4864.98 5798.71 118.03 o 6 -2 -4 2174.55 1695.12 33.62 o 6 -2 -1 81.51 88.23 6.93 o 6 -2 2 1496.39 1576.63 29.40 o 6 -2 5 74.56 92.57 10.14 o 6 -1 -5 111.99 56.79 10.75 o 6 -1 -2 1748.73 1735.27 36.95 o 6 -1 1 121.51 135.76 9.25 o 6 -1 4 1522.85 1635.75 40.65 o 6 0 0 3330.75 3764.13 83.52 o 7 -3 -2 527.66 565.15 36.55 o 7 -3 4 2518.13 3033.57 66.93 o 7 -2 -3 152.25 199.24 25.92 o 7 -2 0 1003.01 1249.83 60.97 o 7 -2 3 152.25 197.35 20.39 o 7 -1 -1 21.19 53.46 16.43 o 7 -1 2 677.73 588.04 39.81 o 7 0 -2 291.65 176.10 46.48 o 7 0 4 2060.52 2011.82 118.62 o 8 -4 3 119.32 105.95 24.09 o 8 -3 -4 766.01 1049.96 90.16 o 8 -3 -1 27.21 31.99 13.96 o 8 -3 2 1229.59 1249.40 89.53 o 8 -1 0 706.78 586.79 78.22 o