#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/81/2018148.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_2018148_Fobs loop_ _publ_author_name 'Bigun, Inna' 'Smetana, Volodymyr' 'Kalychak, Yaroslav' _publ_section_title ; A new rhombohedral modification of EuNi~5~In ; _journal_coeditor_code KU3048 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i42 _journal_page_last i44 _journal_volume 67 _journal_year 2011 _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 4.8956 _cell_length_b 4.8956 _cell_length_c 29.7512 _exptl_crystal_F_000 1512.00 _reflns_d_resolution_high 0.7497 _[local]_cod_data_source_file ku3048Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' vs_it in R-3m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 771.79 _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+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+1/3' 'x-y+2/3, -y+1/3, -z+1/3' '-x+2/3, -x+y+1/3, -z+1/3' '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+2/3' 'x-y+1/3, -y+2/3, -z+2/3' '-x+1/3, -x+y+2/3, -z+2/3' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-y, -x, z' '-x+y, y, z' 'x, x-y, z' '-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+1/3' '-x+y+2/3, y+1/3, z+1/3' 'x+2/3, x-y+1/3, z+1/3' '-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+2/3' '-x+y+1/3, y+2/3, z+2/3' 'x+1/3, x-y+2/3, z+2/3' 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 -1 2 0 423281.22 446211.13 5218.26 o 0 3 0 238551.25 249057.81 2642.73 o -2 4 0 595652.88 607336.44 7758.85 o -1 5 0 105051.68 106475.54 1721.77 o -3 6 0 74225.35 80349.90 2428.68 o -1 1 1 1095.55 782.29 70.41 o 0 2 1 226587.31 240581.16 2244.64 o -2 3 1 727.68 751.00 83.68 o -4 4 1 81418.98 83932.95 1742.28 o -1 4 1 283.09 86.79 94.28 o -3 5 1 326.79 330.55 130.67 o 0 5 1 562.89 698.20 213.28 o -2 6 1 40978.38 41516.88 1090.34 o 0 1 2 9283.67 9126.15 204.23 o -2 2 2 167248.80 178988.95 1677.59 o -1 3 2 6100.12 6307.43 227.91 o -3 4 2 5718.39 5044.28 323.83 o 0 4 2 70548.58 70897.31 1521.23 o -5 5 2 4167.44 3547.78 437.82 o -2 5 2 6177.34 5809.17 379.96 o -4 6 2 39417.60 37404.29 1031.98 o 0 0 3 1073.35 1061.62 124.07 o -1 2 3 14979.49 16302.61 241.40 o -3 3 3 9271.09 8963.80 428.08 o 0 3 3 6785.41 6998.12 413.90 o -2 4 3 256.65 267.76 91.58 o -4 5 3 3089.62 2679.78 268.43 o -1 5 3 4205.98 3981.50 328.72 o -3 6 3 2796.71 2693.32 343.19 o -1 1 4 6104.36 6546.92 187.02 o 0 2 4 131.82 183.12 59.42 o -2 3 4 5207.96 5251.22 215.65 o -4 4 4 239.49 182.20 205.86 o -1 4 4 3147.67 2829.89 230.15 o -3 5 4 1920.18 1770.90 238.25 o 0 5 4 2588.76 2713.38 358.23 o -2 6 4 212.09 246.32 164.85 o 0 1 5 7017.63 7056.42 211.07 o -2 2 5 109775.77 114138.77 1143.74 o -1 3 5 5223.02 4872.08 226.27 o -3 4 5 3042.68 2811.47 231.62 o 0 4 5 43837.16 44834.68 1371.96 o -5 5 5 3268.30 3259.27 433.20 o -2 5 5 2363.74 2341.64 241.17 o -4 6 5 24140.86 24404.15 887.60 o 0 0 6 946.17 721.58 191.04 o -1 2 6 202033.95 206315.42 1291.96 o -3 3 6 110253.50 115541.57 1651.86 o 0 3 6 115809.19 120267.64 1688.19 o -2 4 6 722.12 758.59 113.52 o -4 5 6 52997.42 52626.79 1237.48 o -1 5 6 50474.19 45883.64 1239.29 o -3 6 6 38775.84 39389.44 1029.27 o -1 1 7 46.26 7.55 54.17 o 0 2 7 213689.64 216789.95 1890.44 o -2 3 7 0.54 68.43 55.45 o -4 4 7 75630.60 76892.12 1674.45 o -1 4 7 30.89 109.79 89.28 o -3 5 7 0.80 28.04 104.29 o 0 5 7 7.77 418.07 396.51 o -2 6 7 36488.66 35972.74 990.07 o 0 1 8 186594.27 180615.38 1507.63 o -2 2 8 4558.55 3937.05 230.27 o -1 3 8 109351.02 111891.85 1066.17 o -3 4 8 75619.27 78312.56 1309.68 o 0 4 8 281.88 294.71 287.25 o -5 5 8 40631.23 37988.28 1433.74 o -2 5 8 52713.31 55627.78 1105.32 o -4 6 8 3.64 21.27 160.38 o 0 0 9 8900.95 7346.60 736.32 o -1 2 9 191900.52 193008.83 1233.40 o -3 3 9 109913.16 113117.19 1671.09 o 0 3 9 104544.45 107828.65 1613.66 o -2 4 9 2678.62 2369.03 249.14 o -4 5 9 47016.96 48075.64 1113.34 o -1 5 9 49463.28 49103.86 1136.04 o -3 6 9 36263.58 36661.41 974.50 o -1 1 10 356938.38 334229.69 2502.70 o 0 2 10 103293.69 105639.09 1225.38 o -2 3 10 194709.14 198292.83 1376.79 o -4 4 10 45309.58 47798.16 1297.90 o -1 4 10 131452.25 132963.02 1557.86 o -3 5 10 93539.39 97138.64 1520.30 o 0 5 10 62849.35 63426.17 1883.44 o -2 6 10 25082.32 26955.54 1248.71 o 0 1 11 1621.69 1161.59 116.25 o -2 2 11 999.52 894.19 118.60 o -1 3 11 1306.39 1162.88 113.80 o -3 4 11 505.46 288.12 96.27 o 0 4 11 351.01 370.30 146.69 o -5 5 11 532.28 437.17 219.47 o -2 5 11 181.90 332.88 125.11 o -4 6 11 173.33 99.08 248.73 o 0 0 12 154730.02 150916.97 3035.19 o -1 2 12 25641.39 26101.65 383.10 o -3 3 12 19241.90 18613.50 691.33 o 0 3 12 16000.25 15259.76 594.82 o -2 4 12 59044.86 58645.05 985.14 o -4 5 12 8743.40 8996.75 534.72 o -1 5 12 10391.68 9818.57 558.96 o -3 6 12 7067.50 6862.96 597.05 o -1 1 13 195634.50 190311.14 1684.79 o 0 2 13 5796.43 5473.84 309.83 o -2 3 13 113275.40 113092.73 1030.96 o -4 4 13 2287.40 1784.00 389.35 o -1 4 13 70981.38 68706.33 1077.91 o -3 5 13 45646.72 45588.60 997.94 o 0 5 13 35605.10 31703.34 1255.58 o -2 6 13 1211.30 1913.94 464.46 o 0 1 14 5476.85 5047.25 225.36 o -2 2 14 102837.31 100098.03 1247.87 o -1 3 14 2257.84 2405.83 168.41 o -3 4 14 1464.58 1045.63 141.49 o 0 4 14 45330.46 42844.20 1235.06 o -5 5 14 247.91 -162.26 219.65 o -2 5 14 702.26 366.51 161.92 o -4 6 14 24495.01 22674.70 3537.87 o 0 0 15 219497.31 212645.52 4132.88 o -1 2 15 13.40 -50.37 50.37 o -3 3 15 43.50 234.24 115.53 o 0 3 15 39.94 217.66 133.75 o -2 4 15 72653.49 71306.47 1119.26 o -4 5 15 257.12 525.96 147.38 o -1 5 15 263.69 378.82 147.24 o -3 6 15 459.57 550.24 484.12 o -1 1 16 30002.75 30192.86 540.88 o 0 2 16 224867.34 223382.08 2166.65 o -2 3 16 20692.00 20148.50 409.09 o -4 4 16 101961.03 101600.35 2066.94 o -1 4 16 13941.50 13287.89 530.53 o -3 5 16 10976.73 10711.67 536.85 o 0 5 16 9663.69 7623.91 1145.45 o 0 1 17 2250.82 2039.75 179.62 o -2 2 17 25904.49 24280.92 576.49 o -1 3 17 1347.11 1280.72 115.18 o -3 4 17 551.08 450.54 108.14 o 0 4 17 12716.47 12036.22 816.67 o -5 5 17 198.30 -42.06 538.03 o -2 5 17 120.00 177.35 164.48 o 0 0 18 246654.33 234696.25 4856.23 o -1 2 18 145188.09 143080.50 1282.08 o -3 3 18 95675.26 95577.41 1951.13 o 0 3 18 102441.55 103044.22 1714.62 o -2 4 18 109952.91 107586.17 1504.05 o -4 5 18 56291.95 58030.46 1625.33 o -1 5 18 52692.67 50651.47 1352.03 o -1 1 19 15590.44 14010.04 623.78 o 0 2 19 582.32 580.73 164.80 o -2 3 19 11269.57 11764.61 412.53 o -4 4 19 398.45 222.12 211.50 o -1 4 19 7212.52 6070.93 431.75 o -3 5 19 4647.56 4655.69 404.46 o 0 1 20 143511.92 140481.67 2058.33 o -2 2 20 15982.57 15117.70 707.74 o -1 3 20 90322.89 90789.30 1353.35 o -3 4 20 66093.51 64571.07 1741.60 o 0 4 20 8693.73 7476.55 797.61 o -2 5 20 48616.56 47068.70 1567.18 o 0 0 21 30408.90 29317.46 1489.28 o -1 2 21 19958.18 19827.09 531.82 o -3 3 21 10849.52 11006.37 1232.29 o 0 3 21 12080.90 11645.23 780.04 o -2 4 21 14553.87 12852.62 811.99 o -4 5 21 5535.92 5471.56 1141.25 o -1 5 21 4926.62 4673.62 734.34 o -1 1 22 3066.09 2860.87 319.64 o 0 2 22 63724.70 63561.58 1396.84 o -2 3 22 2769.65 3018.24 215.03 o -4 4 22 27080.40 27717.48 1571.04 o -1 4 22 2505.19 2570.53 326.64 o -3 5 22 1658.98 1771.04 273.72 o 0 1 23 35937.57 35075.40 1061.97 o -2 2 23 193171.28 199715.53 2802.42 o -1 3 23 22879.11 23515.88 704.90 o -3 4 23 15649.08 15758.97 919.61 o 0 4 23 92794.70 93799.27 3519.65 o -2 5 23 12421.14 11149.31 1711.45 o 0 0 24 1303.95 1321.59 403.40 o -1 2 24 54187.75 51288.77 907.26 o -3 3 24 38020.27 35977.77 1372.94 o 0 3 24 35793.42 35749.17 1351.09 o -2 4 24 867.52 552.96 183.82 o -1 1 25 4063.14 3987.88 397.15 o 0 2 25 856.64 945.33 184.32 o -2 3 25 2060.67 1678.43 182.73 o -4 4 25 574.10 1049.56 307.99 o -1 4 25 1647.47 1975.08 247.82 o 0 1 26 74736.12 75557.06 1623.77 o -2 2 26 79827.02 81310.42 1726.73 o -1 3 26 55425.22 58107.54 1151.16 o -3 4 26 39484.82 42178.38 1682.29 o 0 4 26 43543.86 44820.16 2999.55 o 0 0 27 78085.70 81373.39 2933.21 o -1 2 27 13894.70 13267.34 552.66 o -3 3 27 11204.62 11625.87 918.93 o 0 3 27 9586.04 9817.77 945.98 o -2 4 27 39263.46 39162.25 1271.75 o -1 1 28 16115.80 16128.17 875.09 o 0 2 28 102777.63 105138.02 2302.17 o -2 3 28 12565.39 12236.60 567.58 o -1 4 28 10660.94 11019.50 764.19 o 0 1 29 3014.59 2485.22 307.48 o -2 2 29 32980.34 32785.98 1092.49 o -1 3 29 1883.40 1806.29 187.28 o -3 4 29 1572.55 1519.04 503.73 o 0 0 30 190576.02 195152.36 5208.68 o -1 2 30 29926.63 29291.55 743.18 o -3 3 30 21821.74 23727.14 1260.73 o 0 3 30 21935.89 20994.24 3038.56 o -2 4 30 96980.67 104787.93 3484.89 o -1 1 31 20423.64 19229.55 973.41 o 0 2 31 1296.39 1711.65 325.43 o -2 3 31 14858.51 14479.10 636.24 o 0 1 32 1811.89 1942.48 345.14 o -2 2 32 2997.69 2986.05 356.04 o -1 3 32 1335.58 1734.29 280.62 o 0 0 33 3736.71 2590.84 620.43 o -1 2 33 4019.81 4461.74 301.31 o -3 3 33 3385.60 2502.27 585.93 o -1 1 34 15917.19 15017.47 937.46 o 0 2 34 2114.78 2462.30 346.63 o -2 3 34 13077.96 12549.49 762.25 o 0 1 35 15697.06 15449.02 928.17 o -2 2 35 406.74 430.94 243.83 o -1 3 35 10918.77 13726.81 1927.17 o 0 0 36 32292.94 33928.66 2096.39 o -1 2 36 115385.79 125686.96 2194.33 o -1 1 37 6148.43 6261.75 495.86 o 0 2 37 8944.03 10143.39 1778.99 o