#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:02:24 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180947 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/27/2202734.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_2202734_Fobs loop_ _publ_author_name 'Condron, Cathie L.' 'Strand, Joel D.' 'Canfield, Paul C.' 'Miller, Gordon J.' _publ_section_title ; The intermetallic compound Gd~6~Ta~4~Al~43~ ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i147 _journal_page_last i148 _journal_volume 59 _journal_year 2003 _space_group_IT_number 193 _symmetry_space_group_name_Hall '-P 6c 2' _symmetry_space_group_name_H-M 'P 63/m c m' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 11.1047 _cell_length_b 11.1047 _cell_length_c 17.8853 _exptl_crystal_F_000 2470.00 _reflns_d_resolution_high 0.7510 _cod_data_source_file mg6025Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' P63mmm in P6(3)/mcm' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1013.24 _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, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' 'y, x, -z+1/2' 'x-y, -y, -z+1/2' '-x, -x+y, -z+1/2' '-y, -x, -z' '-x+y, y, -z' 'x, x-y, -z' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' 'x, y, -z-1/2' '-y, x-y, -z-1/2' '-x+y, -x, -z-1/2' '-y, -x, z-1/2' '-x+y, y, z-1/2' 'x, x-y, z-1/2' '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 1389.05 1765.47 55.85 o -1 2 0 33609.07 35150.12 423.72 o 0 2 0 254686.50 277321.78 5460.51 o -1 3 0 21318.38 22068.31 320.83 o 0 3 0 13433.48 14459.89 315.64 o -2 4 0 272039.31 276723.69 5896.81 o -1 4 0 507.99 706.90 49.90 o 0 4 0 1026661.56 1057863.50 19574.14 o -2 5 0 109839.04 108163.41 969.25 o -1 5 0 222.58 442.56 54.57 o 0 5 0 44424.85 45707.88 570.75 o -3 6 0 22.26 139.45 47.63 o -2 6 0 100958.10 101700.76 955.02 o -1 6 0 41973.82 42429.97 430.65 o 0 6 0 213533.50 214334.47 2810.73 o -3 7 0 43660.88 44063.75 444.97 o -2 7 0 14645.26 14487.38 223.32 o -1 7 0 2081.85 2011.14 94.81 o 0 7 0 328597.28 324517.00 6408.64 o -4 8 0 490657.03 477119.34 7639.92 o -3 8 0 35910.91 34380.45 498.04 o -2 8 0 32839.59 31144.30 565.45 o -1 8 0 21247.96 20886.90 457.63 o 0 8 0 396870.09 387603.94 12639.94 o -4 9 0 2604.29 2802.78 144.48 o -3 9 0 247.79 409.51 77.30 o -2 9 0 3208.93 3398.65 177.00 o -1 9 0 15342.36 14969.44 318.64 o 0 9 0 17590.42 17327.84 556.99 o -5 10 0 63022.09 60060.27 1029.43 o -4 10 0 35346.26 34596.86 532.49 o -3 10 0 7614.99 7660.24 236.92 o -2 10 0 2188.29 2287.28 153.66 o -1 10 0 44762.95 41630.47 972.43 o 0 10 0 5529.16 6036.42 450.28 o -5 11 0 7353.23 7143.89 242.83 o -4 11 0 176871.45 173715.81 1879.34 o -3 11 0 16027.94 15981.50 358.45 o -2 11 0 30508.94 29103.03 575.09 o -1 11 0 13645.78 13138.15 487.98 o 0 11 0 184955.77 188965.00 5103.08 o -6 12 0 413.50 484.85 156.88 o -5 12 0 564.48 517.74 120.57 o -4 12 0 70972.84 70243.06 918.23 o -3 12 0 16789.18 16595.97 452.39 o -2 12 0 4129.05 4114.20 295.88 o -1 12 0 599.99 723.90 177.47 o 0 12 0 88038.03 89507.23 2706.20 o -6 13 0 17190.08 17435.57 432.96 o -5 13 0 11705.68 11444.67 383.63 o -4 13 0 6385.16 6291.22 324.61 o -3 13 0 7274.26 7209.97 344.16 o -2 13 0 42150.13 42068.46 897.97 o -1 13 0 4398.08 4903.47 600.02 o -7 14 0 15520.10 15008.23 592.47 o -6 14 0 796.71 1121.15 173.70 o -5 14 0 34661.09 32838.44 758.35 o -4 14 0 7305.75 7671.52 679.70 o -3 14 0 7041.13 7377.99 587.54 o -1 2 1 117603.02 127354.74 891.12 o -1 3 1 14409.56 15152.43 133.08 o -2 4 1 12419.87 12220.09 140.53 o -1 4 1 34861.02 35545.12 254.14 o -2 5 1 139064.53 140552.17 806.55 o -1 5 1 503.62 666.65 38.13 o -3 6 1 2714.00 3086.12 98.95 o -2 6 1 18890.97 18415.96 178.05 o -1 6 1 140630.36 140750.13 845.66 o -3 7 1 6308.94 6218.96 96.56 o -2 7 1 3205.01 3206.46 76.30 o -1 7 1 20421.64 20120.69 205.68 o -4 8 1 15053.36 14840.58 286.78 o -3 8 1 22191.48 21871.86 202.76 o -2 8 1 31433.39 30034.46 285.89 o -1 8 1 13792.56 13250.02 185.20 o -4 9 1 2427.02 2579.02 87.82 o -3 9 1 66642.81 64251.93 495.99 o -2 9 1 9205.36 9109.33 159.98 o -1 9 1 5579.82 5518.28 132.75 o -5 10 1 235394.47 232386.22 2118.54 o -4 10 1 3410.91 3630.14 129.03 o -3 10 1 12817.26 12517.52 211.31 o -2 10 1 1555.78 1847.98 103.53 o -1 10 1 122809.86 118271.45 1599.39 o -5 11 1 8326.74 8076.91 182.00 o -4 11 1 38.23 214.05 63.57 o -3 11 1 10344.06 10144.43 209.83 o -2 11 1 869.88 908.49 98.96 o -1 11 1 15400.96 15640.11 351.44 o -6 12 1 74498.61 72041.94 984.93 o -5 12 1 9120.83 8894.04 210.52 o -4 12 1 37.11 210.03 71.93 o -3 12 1 2354.17 2761.77 161.57 o -2 12 1 47839.02 46887.39 622.40 o -1 12 1 8824.83 9076.76 290.66 o -6 13 1 8882.09 9054.75 224.48 o -5 13 1 3604.77 3797.25 174.02 o -4 13 1 804.14 853.35 117.47 o -3 13 1 32905.93 32165.80 487.29 o -2 13 1 32.80 92.87 107.42 o -1 13 1 3242.03 3372.76 419.85 o -7 14 1 24941.92 24620.31 541.92 o -6 14 1 465.03 665.39 99.66 o -5 14 1 43414.71 44162.11 697.75 o -4 14 1 3695.92 3925.46 325.96 o -3 14 1 7563.82 8477.80 750.60 o 0 0 2 5411.80 5911.17 128.07 o 0 1 2 731.13 1189.47 52.09 o -1 2 2 38968.96 42632.52 372.00 o 0 2 2 169973.36 183291.41 1412.60 o -1 3 2 16769.53 17610.64 127.72 o 0 3 2 4433.66 4677.08 91.96 o -2 4 2 152161.16 157382.23 1510.68 o -1 4 2 20622.14 20702.19 165.06 o 0 4 2 64625.63 65535.59 590.31 o -2 5 2 83455.48 83206.66 491.93 o -1 5 2 3486.16 3541.14 66.68 o 0 5 2 960.63 1291.36 69.15 o -3 6 2 265.84 564.02 53.24 o -2 6 2 78775.97 79513.61 547.53 o -1 6 2 22921.47 22851.07 204.67 o 0 6 2 43971.81 43513.86 452.58 o -3 7 2 14099.04 13692.89 161.31 o -2 7 2 26733.46 26082.70 237.54 o -1 7 2 10186.20 9893.16 145.59 o 0 7 2 51395.09 50707.59 718.95 o -4 8 2 14509.26 13970.43 241.88 o -3 8 2 929.24 1119.43 63.04 o -2 8 2 44396.23 41806.95 453.36 o -1 8 2 8535.26 8469.73 155.71 o 0 8 2 6776.72 6251.91 199.54 o -4 9 2 35972.16 34783.38 332.09 o -3 9 2 24406.21 23781.31 270.37 o -2 9 2 42506.85 40370.44 380.03 o -1 9 2 7997.21 7832.45 155.92 o 0 9 2 48761.18 46795.51 1034.31 o -5 10 2 23194.26 22484.42 379.10 o -4 10 2 3420.56 3511.48 122.09 o -3 10 2 369.64 472.46 63.32 o -2 10 2 27851.83 27118.69 330.85 o -1 10 2 10764.67 10522.68 223.45 o 0 10 2 2675.32 2607.89 211.88 o -5 11 2 17440.58 17177.21 268.98 o -4 11 2 4810.40 4867.53 153.68 o -3 11 2 6527.45 6349.96 178.66 o -2 11 2 40585.16 40201.14 500.66 o -1 11 2 485.10 593.80 103.73 o 0 11 2 1183.96 1458.58 193.67 o -6 12 2 32663.24 32301.48 586.27 o -5 12 2 793.27 1023.51 97.62 o -4 12 2 10167.78 10029.01 222.40 o -3 12 2 4624.80 4777.90 194.68 o -2 12 2 20055.78 19853.85 365.45 o -1 12 2 156.56 199.11 111.08 o 0 12 2 3323.04 3566.08 331.67 o -6 13 2 19569.52 19142.93 334.76 o -5 13 2 13594.74 13690.41 293.20 o -4 13 2 46164.78 44347.38 627.58 o -3 13 2 9849.06 9735.61 279.19 o -2 13 2 43191.40 42773.87 700.65 o -1 13 2 9410.94 9484.07 794.55 o -7 14 2 12422.28 12215.80 450.10 o -6 14 2 521.37 593.98 108.25 o -5 14 2 5932.92 6037.22 364.87 o -4 14 2 1408.86 1417.59 229.12 o -1 2 3 25770.95 27965.00 245.54 o -1 3 3 90686.35 95051.48 516.85 o -2 4 3 43126.44 44647.59 378.80 o -1 4 3 172986.83 178334.38 965.80 o -2 5 3 64883.32 64618.35 395.90 o -1 5 3 77159.54 79077.41 493.12 o -3 6 3 255118.05 259651.48 3233.87 o -2 6 3 16936.57 16849.72 156.64 o -1 6 3 2220.39 2453.81 88.35 o -3 7 3 46673.73 45500.19 491.63 o -2 7 3 48152.36 47546.95 509.80 o -1 7 3 164774.66 160934.13 1881.80 o -4 8 3 24005.29 23694.78 347.10 o -3 8 3 130470.77 129798.84 1109.26 o -2 8 3 21569.64 21263.94 263.31 o -1 8 3 150224.56 145784.59 1719.11 o -4 9 3 69611.25 69046.25 537.85 o -3 9 3 56.78 312.16 52.23 o -2 9 3 6161.33 5799.46 154.47 o -1 9 3 121503.62 119031.38 1432.72 o -5 10 3 36.24 157.86 75.90 o -4 10 3 25429.29 25304.05 294.39 o -3 10 3 145975.55 142930.39 1033.12 o -2 10 3 9967.88 9737.71 189.69 o -1 10 3 11221.88 10987.99 220.92 o -5 11 3 18112.46 17303.59 270.90 o -4 11 3 4554.01 4479.31 156.01 o -3 11 3 11479.88 11093.52 227.07 o -2 11 3 1398.55 1434.38 114.63 o -1 11 3 26833.99 26410.49 453.06 o -6 12 3 1710.64 1604.35 159.87 o -5 12 3 118945.17 115373.34 1023.68 o -4 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219218.97 218551.00 1523.11 o -1 3 6 270203.34 268963.53 1306.10 o 0 3 6 660.68 982.12 48.27 o -2 4 6 10563.76 11056.93 161.75 o -1 4 6 7709.93 7942.09 91.25 o 0 4 6 199702.02 207473.75 1541.57 o -2 5 6 97489.92 99417.86 602.10 o -1 5 6 57572.23 58575.82 404.84 o 0 5 6 34458.60 35035.46 378.78 o -3 6 6 95494.66 98994.20 838.98 o -2 6 6 21449.64 21398.04 210.09 o -1 6 6 150453.13 154657.17 962.37 o 0 6 6 65686.47 65180.96 744.69 o -3 7 6 835.30 1020.72 58.94 o -2 7 6 15081.62 14934.91 193.77 o -1 7 6 23009.28 23444.68 271.32 o 0 7 6 100040.05 100530.17 1154.56 o -4 8 6 81862.20 82441.67 847.36 o -3 8 6 67063.75 66366.36 721.34 o -2 8 6 3340.24 3428.97 132.43 o -1 8 6 21292.11 20343.92 323.54 o 0 8 6 9413.57 9240.82 300.05 o -4 9 6 15950.00 15972.73 238.49 o -3 9 6 90981.03 89127.91 774.91 o -2 9 6 7464.49 7275.18 203.06 o -1 9 6 32992.42 32456.63 449.48 o 0 9 6 624.18 957.70 146.76 o -5 10 6 153441.33 155029.47 2280.02 o -4 10 6 1003.39 1161.46 95.92 o -3 10 6 34160.36 33140.01 429.35 o 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