#------------------------------------------------------------------------------ #$Date: 2016-04-06 16:41:11 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181871 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/01/2020125.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_2020125 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 4.6188 _cell_length_b 4.6188 _cell_length_c 7.3280 _exptl_crystal_F_000 239.00 _reflns_d_resolution_high 0.6985 _cod_data_source_file sk3600GdLi3Bi2sup7.hkl _cod_data_source_block GdLi3Bi2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' GdLi3Bi2 in P-3m1 after absorption correction and tidy' _shelx_refln_list_code 4 _shelx_f_calc_maximum 179.96 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z' '-x+y, y, z' 'x, x-y, 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 0 1 0 253.28 344.35 15.41 o -1 2 0 32385.68 33369.60 211.55 o 0 2 0 187.62 247.90 18.12 o -1 3 0 156.39 208.15 15.61 o 0 3 0 18484.64 18530.51 176.94 o -2 4 0 14767.78 14653.89 171.91 o -1 4 0 109.93 100.96 21.57 o 0 4 0 93.23 117.18 33.69 o -2 5 0 80.04 75.82 30.79 o -1 5 0 8397.36 8560.92 116.35 o 0 5 0 60.85 54.92 54.23 o -3 6 0 6076.56 6603.78 207.17 o -2 6 0 53.64 69.15 45.01 o -1 6 0 47.49 89.81 82.53 o 0 0 1 3535.74 3637.12 57.96 o -1 1 1 4433.35 4689.48 60.64 o 0 1 1 29750.13 31084.18 171.81 o -2 2 1 20762.64 20575.03 151.61 o -1 2 1 2345.88 2454.40 27.65 o 0 2 1 3166.21 3256.31 54.73 o -3 3 1 1364.69 1472.82 51.92 o -2 3 1 2483.10 2504.04 37.12 o -1 3 1 15817.96 15625.03 96.25 o 0 3 1 1364.69 1437.95 54.25 o -4 4 1 1372.19 1294.44 68.88 o -3 4 1 10192.73 10172.78 102.36 o -2 4 1 1106.46 1193.56 42.77 o -1 4 1 1644.72 1689.01 51.74 o 0 4 1 8441.06 8402.39 185.14 o -5 5 1 5130.88 5041.90 179.45 o -4 5 1 654.35 588.28 43.13 o -3 5 1 1159.77 1222.55 59.25 o -2 5 1 7084.60 7283.65 112.58 o -1 5 1 654.36 635.14 53.59 o 0 5 1 852.77 771.29 85.56 o -5 6 1 643.09 652.29 156.99 o -4 6 1 4410.09 4694.37 141.27 o -3 6 1 480.89 501.53 57.09 o -2 6 1 738.79 655.29 70.59 o -1 6 1 3809.43 3655.38 205.40 o 0 0 2 7181.52 7429.48 161.74 o -1 1 2 12481.65 12460.79 97.08 o 0 1 2 16469.86 16429.48 116.52 o -2 2 2 11782.82 11719.92 109.78 o -1 2 2 5061.41 5222.26 45.06 o 0 2 2 8996.69 8723.24 92.22 o -3 3 2 3155.67 3066.40 68.77 o -2 3 2 6916.26 6640.01 66.49 o -1 3 2 8991.76 8945.30 72.26 o 0 3 2 3155.67 3233.18 71.19 o -4 4 2 3730.91 3603.66 124.43 o -3 4 2 5756.71 5718.17 80.19 o -2 4 2 2580.54 2696.41 65.93 o -1 4 2 4495.29 4420.12 67.55 o 0 4 2 4745.80 4754.15 158.69 o -5 5 2 2845.31 2462.79 165.27 o -4 5 2 1538.54 1511.15 72.43 o -3 5 2 3135.17 3228.22 94.40 o -2 5 2 3964.37 4227.94 105.77 o -1 5 2 1538.54 1596.91 79.44 o 0 5 2 2271.94 2188.65 192.67 o -5 6 2 1685.98 1767.10 184.92 o -4 6 2 2435.78 2402.94 107.73 o -3 6 2 1141.50 1115.33 74.21 o -2 6 2 1952.41 2033.75 96.72 o -1 6 2 2096.45 1657.40 193.10 o 0 0 3 1816.56 1754.86 66.45 o -1 1 3 24004.87 23255.33 154.45 o 0 1 3 3160.83 3143.94 50.85 o -2 2 3 2411.57 2339.79 46.12 o -1 2 3 1298.62 1308.66 31.75 o 0 2 3 18062.66 17622.55 151.80 o -3 3 3 778.52 823.66 62.53 o -2 3 3 14205.21 13623.42 106.59 o -1 3 3 1902.56 1933.18 44.96 o 0 3 3 778.53 776.79 53.31 o -4 4 3 7923.31 7668.72 174.98 o -3 4 3 1254.98 1273.43 51.88 o -2 4 3 631.37 645.57 37.17 o -1 4 3 9471.54 9298.23 114.91 o 0 4 3 1044.10 965.85 72.85 o -5 5 3 642.51 554.35 79.68 o -4 5 3 367.00 276.58 43.92 o -3 5 3 6699.60 6879.08 120.97 o -2 5 3 879.73 830.60 60.55 o -1 5 3 367.00 301.88 48.64 o 0 5 3 4900.93 5309.99 229.75 o -4 6 3 554.78 630.28 98.43 o -3 6 3 266.18 172.06 59.66 o -2 6 3 4227.45 4458.23 172.62 o 0 0 4 24872.27 23555.17 285.75 o -1 1 4 19.90 50.86 16.09 o 0 1 4 389.12 452.94 35.94 o -2 2 4 322.51 298.20 27.45 o -1 2 4 19070.80 18437.18 116.41 o 0 2 4 16.72 19.97 23.41 o -3 3 4 12348.01 11680.22 166.05 o -2 3 4 14.93 2.50 16.59 o -1 3 4 269.48 266.75 24.11 o 0 3 4 12348.01 11910.40 168.60 o -4 4 4 11.63 62.92 47.13 o -3 4 4 194.36 179.99 30.75 o -2 4 4 10235.14 10236.87 118.79 o -1 4 4 12.57 33.66 27.90 o 0 4 4 167.79 104.98 43.97 o -5 5 4 112.74 51.85 66.85 o -4 5 4 6226.64 6337.49 130.93 o -3 5 4 10.79 38.55 36.18 o -2 5 4 146.11 152.31 41.54 o -1 5 4 6226.64 6331.91 135.37 o 0 5 4 9.31 -41.88 90.12 o -3 6 4 4623.58 5182.94 554.44 o -2 6 4 8.65 -211.22 211.22 o 0 0 5 2663.81 2732.59 100.51 o -1 1 5 2933.16 2798.28 74.54 o 0 1 5 13503.75 13111.70 129.95 o -2 2 5 10773.29 10703.97 149.08 o -1 2 5 2101.06 2098.57 47.20 o 0 2 5 2341.28 2449.64 79.50 o -3 3 5 1409.43 1432.81 74.43 o -2 3 5 1904.73 1966.09 61.65 o -1 3 5 8793.71 8731.39 104.73 o 0 3 5 1409.43 1416.52 84.55 o -4 4 5 1119.14 997.87 90.70 o -3 4 5 6131.85 6044.21 103.26 o -2 4 5 1181.00 1223.07 66.11 o -1 4 5 1320.41 1187.66 59.54 o 0 4 5 5200.64 5470.88 171.37 o -5 5 5 3298.29 3288.00 498.68 o -4 5 5 730.24 630.11 64.64 o -3 5 5 956.88 854.52 64.68 o -2 5 5 4443.37 4395.27 131.58 o -1 5 5 730.24 675.73 61.30 o 0 0 6 2617.23 2619.64 126.74 o -1 1 6 4441.82 4562.40 95.13 o 0 1 6 7440.74 7046.83 114.27 o -2 2 6 6099.78 6145.25 122.09 o -1 2 6 2162.08 2184.68 59.82 o 0 2 6 3614.80 3691.01 98.49 o -3 3 6 1538.88 1595.01 92.45 o -2 3 6 2991.29 3075.29 87.74 o -1 3 6 5080.64 4874.38 100.46 o 0 3 6 1538.88 1588.45 88.75 o -4 4 6 1805.87 1442.59 129.51 o -3 4 6 3640.18 3503.99 100.06 o -2 4 6 1318.74 1222.04 67.28 o -1 4 6 2119.45 2175.14 88.15 o 0 4 6 3116.33 3123.52 170.41 o -4 5 6 861.75 802.98 325.48 o -3 5 6 1548.08 1552.47 97.12 o -2 5 6 2682.76 2523.94 118.25 o -1 5 6 861.75 955.48 266.70 o 0 0 7 258.83 194.12 69.58 o -1 1 7 10034.80 10164.44 166.53 o 0 1 7 788.47 844.13 61.35 o -2 2 7 663.55 791.19 67.35 o -1 2 7 220.31 156.54 30.54 o 0 2 7 8377.97 8520.92 160.73 o -3 3 7 163.07 131.57 54.86 o -2 3 7 7072.09 7467.70 122.59 o -1 3 7 564.89 500.96 52.73 o 0 3 7 163.07 153.66 59.51 o -4 4 7 4445.79 5031.04 483.14 o -3 4 7 419.90 290.62 49.18 o -2 4 7 141.16 155.53 44.45 o -1 4 7 5159.55 4978.96 136.02 o 0 4 7 365.25 406.65 125.68 o 0 0 8 8796.54 8817.40 361.83 o -1 1 8 31.21 59.28 48.84 o 0 1 8 272.14 183.30 60.75 o -2 2 8 236.19 232.46 56.65 o -1 2 8 7417.68 7908.44 129.74 o 0 2 8 26.98 23.08 52.31 o -3 3 8 5400.85 5596.57 263.26 o -2 3 8 23.39 66.87 40.95 o -1 3 8 206.36 204.05 50.75 o 0 3 8 5400.85 6074.60 330.81 o -3 4 8 159.59 275.86 130.26 o -2 4 8 4649.64 4986.44 203.03 o -1 4 8 17.75 51.27 146.52 o 0 0 9 1300.99 1277.87 189.34 o -1 1 9 966.96 890.54 95.69 o 0 1 9 4063.37 4003.84 178.02 o -2 2 9 3495.69 3609.36 170.89 o -1 2 9 1113.05 986.77 78.82 o 0 2 9 836.29 887.12 119.21 o -2 3 9 726.90 644.50 157.97 o -1 3 9 3021.85 3440.64 228.41 o 0 0 10 799.29 1030.20 186.67 o -1 1 10 1131.15 1113.89 148.68 o 0 1 10 2938.89 2979.62 286.05 o -1 2 10 694.78 1003.25 289.37 o