#------------------------------------------------------------------------------ #$Date: 2016-04-06 16:41:11 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181871 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/01/2020126.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_2020126 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 4.6165 _cell_length_b 4.6165 _cell_length_c 7.3087 _exptl_crystal_F_000 240.00 _reflns_d_resolution_high 0.7046 _cod_data_source_file sk3600TbLi3Bi2sup8.hkl _cod_data_source_block TbLi3Bi2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' TbLi3Bi2 in P-3m1 after absorption correction and tidy' _shelx_refln_list_code 4 _shelx_f_calc_maximum 183.66 _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' 'x-y, -y, -z' '-x, -x+y, -z' 'y, x, -z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-x+y, y, z' 'x, x-y, z' '-y, -x, 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 0 217.35 282.14 8.48 o -1 2 0 33729.38 31834.51 414.70 o 0 2 0 162.86 199.71 9.35 o -1 3 0 142.39 178.55 8.89 o 0 3 0 20242.70 19068.41 204.42 o -2 4 0 16570.73 15902.85 178.98 o -1 4 0 109.22 104.28 9.47 o 0 4 0 96.41 105.54 15.33 o -2 5 0 86.01 87.30 10.88 o -1 5 0 10122.36 9789.79 101.32 o 0 5 0 70.37 94.61 21.52 o -3 6 0 7677.82 7268.97 142.49 o -2 6 0 64.27 48.18 13.29 o -1 6 0 58.91 74.86 26.98 o 0 0 1 3827.88 3969.74 79.21 o -1 1 1 4372.19 4599.02 46.73 o 0 1 1 30284.29 32037.55 351.29 o -2 2 1 21651.85 20849.87 187.95 o -1 2 1 2620.31 2550.92 23.74 o 0 2 1 3185.82 3100.38 39.18 o -3 3 1 1571.70 1530.17 39.83 o -2 3 1 2566.94 2533.55 28.46 o -1 3 1 16858.66 15860.73 110.24 o 0 3 1 1571.70 1546.62 35.29 o -4 4 1 1541.27 1460.85 42.67 o -3 4 1 11353.91 11060.41 99.61 o -2 4 1 1294.70 1273.30 26.29 o -1 4 1 1796.87 1764.84 29.98 o 0 4 1 9616.97 9315.07 124.64 o -5 5 1 6262.74 6391.88 128.17 o -4 5 1 807.99 824.02 30.46 o -3 5 1 1339.29 1333.99 38.48 o -2 5 1 8257.57 8033.78 92.52 o -1 5 1 807.99 809.64 29.82 o 0 5 1 1040.80 924.61 52.06 o -5 6 1 829.40 851.51 80.91 o -4 6 1 5509.64 5621.49 98.33 o -3 6 1 617.81 626.15 33.03 o -2 6 1 926.93 905.58 40.63 o -1 6 1 4871.67 4735.12 169.35 o 0 0 2 7070.90 7625.81 141.50 o -1 1 2 12649.35 12902.64 124.37 o 0 1 2 17644.80 18019.29 152.19 o -2 2 2 12970.85 12885.60 129.28 o -1 2 2 5088.35 5254.20 42.22 o 0 2 2 9329.95 9111.32 92.84 o -3 3 2 3348.41 3276.75 55.06 o -2 3 2 7328.46 7312.98 61.58 o -1 3 2 10151.46 9943.79 77.55 o 0 3 2 3348.41 3273.45 54.98 o -4 4 2 4219.81 4133.99 76.93 o -3 4 2 6822.83 6762.59 72.32 o -2 4 2 2813.42 2799.78 37.41 o -1 4 2 4973.96 4805.40 57.35 o 0 4 2 5759.71 5741.73 102.44 o -5 5 2 3702.94 3836.15 115.71 o -4 5 2 1818.92 1871.02 45.42 o -3 5 2 3625.35 3664.62 61.63 o -2 5 2 4925.54 4852.89 72.55 o -1 5 2 1818.92 1788.53 43.93 o 0 5 2 2747.19 2764.22 80.20 o -5 6 2 2132.62 1950.18 201.52 o -4 6 2 3243.67 3375.00 128.05 o -3 6 2 1424.04 1505.30 66.82 o -2 6 2 2414.52 2412.12 84.73 o -1 6 2 2856.44 2329.00 313.56 o 0 0 3 1736.09 1666.62 44.15 o -1 1 3 25536.48 26792.72 247.59 o 0 1 3 2981.75 3085.76 41.56 o -2 2 3 2354.93 2360.02 38.03 o -1 2 3 1268.48 1223.89 17.29 o 0 2 3 19657.48 20035.92 186.44 o -3 3 3 789.44 747.73 45.28 o -2 3 3 15812.92 15972.50 113.77 o -1 3 3 1921.26 1875.15 24.81 o 0 3 3 789.44 809.76 40.24 o -4 4 3 9448.14 9488.56 146.82 o -3 4 3 1350.07 1374.43 35.46 o -2 4 3 652.19 667.65 24.70 o -1 4 3 11036.36 11150.37 112.91 o 0 4 3 1157.56 1133.24 50.23 o -5 5 3 776.56 856.53 60.46 o -4 5 3 400.72 454.73 25.87 o -3 5 3 8176.82 8382.08 119.83 o -2 5 3 1004.37 982.53 39.32 o -1 5 3 400.72 404.43 24.47 o 0 5 3 6268.10 6454.05 145.08 o -4 6 3 689.46 776.69 170.07 o -3 6 3 301.54 311.95 35.10 o -2 6 3 5535.29 5450.32 297.07 o 0 0 4 26393.28 27261.75 677.63 o -1 1 4 48.83 56.70 6.33 o 0 1 4 495.82 522.73 20.39 o -2 2 4 420.37 465.08 22.01 o -1 2 4 20703.28 20704.78 147.72 o 0 2 4 34.89 34.36 7.30 o -3 3 4 14028.81 14352.84 191.95 o -2 3 4 26.97 49.47 6.62 o -1 3 4 360.24 401.35 15.20 o 0 3 4 14028.81 14508.77 180.14 o -4 4 4 15.59 33.82 12.91 o -3 4 4 274.14 246.81 17.45 o -2 4 4 11897.99 12167.34 126.80 o -1 4 4 18.30 39.88 9.18 o 0 4 4 243.24 265.69 27.73 o -5 5 4 177.56 184.16 53.54 o -4 5 4 7758.89 7971.11 116.72 o -3 5 4 13.49 13.73 10.98 o -2 5 4 217.72 232.39 20.74 o -1 5 4 7758.89 8028.03 110.76 o 0 5 4 10.54 185.49 75.21 o -3 6 4 6036.79 6116.87 311.62 o 0 0 5 3360.18 3440.46 102.31 o -1 1 5 3325.19 3296.06 48.81 o 0 1 5 14405.11 14231.80 158.17 o -2 2 5 11759.76 11703.54 140.07 o -1 2 5 2708.26 2665.66 34.81 o 0 2 5 2739.69 2723.42 51.35 o -3 3 5 1896.59 1961.18 53.33 o -2 3 5 2298.48 2374.48 36.33 o -1 3 5 9821.74 9811.19 91.68 o 0 3 5 1896.59 1959.42 53.05 o -4 4 5 1473.65 1513.68 67.93 o -3 4 5 7170.45 7295.55 96.45 o -2 4 5 1624.22 1663.67 48.29 o -1 4 5 1690.03 1699.67 45.59 o 0 4 5 6222.92 6369.51 137.38 o -4 5 5 1073.33 1043.88 50.36 o -3 5 5 1295.54 1392.77 53.43 o -2 5 5 5440.56 5938.15 128.84 o -1 5 5 1073.33 1146.79 49.08 o 0 0 6 2764.59 2762.21 73.98 o -1 1 6 4545.07 4488.58 75.55 o 0 1 6 9085.46 8865.04 119.46 o -2 2 6 7616.44 7439.23 110.51 o -1 2 6 2347.22 2425.59 36.61 o 0 2 6 3786.85 3768.58 70.57 o -3 3 6 1765.76 1839.82 58.66 o -2 3 6 3207.45 3270.94 46.37 o -1 3 6 6488.28 6452.45 71.28 o 0 3 6 1765.76 1826.73 56.09 o -4 4 6 2073.97 2315.16 84.87 o -3 4 6 4865.06 4953.28 85.89 o -2 4 6 1555.86 1619.24 48.50 o -1 4 6 2379.42 2371.98 53.75 o 0 4 6 4261.60 4066.92 118.32 o -4 5 6 1105.21 999.70 139.89 o -3 5 6 1818.57 1826.98 94.45 o -2 5 6 3754.19 3706.74 152.80 o -1 5 6 1105.21 1059.58 115.81 o 0 0 7 166.89 191.38 39.13 o -1 1 7 12254.67 11870.41 166.44 o 0 1 7 773.62 765.08 48.19 o -2 2 7 670.30 777.99 38.34 o -1 2 7 144.11 150.33 12.87 o 0 2 7 10470.35 10247.03 144.38 o -3 3 7 110.20 165.58 24.13 o -2 3 7 9045.14 8956.88 99.06 o -1 3 7 587.38 605.24 26.19 o 0 3 7 110.20 130.90 20.11 o -4 4 7 6096.20 5702.54 336.12 o -3 4 7 462.41 445.75 31.74 o -2 4 7 97.06 92.91 15.95 o -1 4 7 6912.33 7013.06 112.62 o 0 4 7 413.86 397.63 68.74 o 0 0 8 10643.44 10362.71 312.97 o -1 1 8 95.00 64.21 16.95 o 0 1 8 448.39 439.89 43.03 o -2 2 8 400.21 391.96 32.90 o -1 2 8 9194.54 9003.63 106.79 o 0 2 8 81.87 98.36 18.37 o -3 3 8 7022.82 7348.95 172.76 o -2 3 8 70.95 83.08 13.64 o -1 3 8 359.58 367.15 23.89 o 0 3 8 7022.81 6911.72 138.36 o -2 4 8 6191.42 6175.61 178.26 o -1 4 8 54.07 31.78 27.63 o 0 0 9 2061.46 1987.82 128.56 o -1 1 9 1382.88 1306.03 67.19 o 0 1 9 4806.11 4620.17 115.53 o -2 2 9 4231.66 4122.71 107.69 o -1 2 9 1802.27 1849.04 74.71 o 0 2 9 1227.92 1118.77 63.39 o -2 3 9 1095.77 931.02 58.05 o -1 3 9 3744.32 3856.25 116.71 o