#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2206094.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_2206094_Fobs loop_ _publ_author_name 'Jin, Gengbang' 'Wells, Daniel M.' 'Crerar, Shane J.' 'Shehee, Thomas C.' 'Mar, Arthur' 'Albrecht-Schmitt, Thomas E.' _publ_section_title ; Europium antimony sulfide, Eu~6~Sb~6~S~17~ ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i116 _journal_page_last i119 _journal_volume 61 _journal_year 2005 _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 8.2360 _cell_length_b 15.2370 _cell_length_c 22.7240 _exptl_crystal_F_000 3824.00 _reflns_d_resolution_high 0.7491 _[local]_cod_data_source_file wm6069Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' final in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 2397.59 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -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 2 0 0 93395.63 114510.12 4150.49 o 4 0 0 5748457.00 5054248.00 171934.41 o 6 0 0 78609.25 75738.16 2502.70 o 8 0 0 1604335.38 1603885.25 44101.24 o 10 0 0 71859.97 76341.32 3437.65 o 1 1 0 0.66 944.82 120.90 o 2 1 0 3048.26 3032.55 214.45 o 3 1 0 21.45 461.63 147.19 o 4 1 0 288.61 1161.79 267.49 o 5 1 0 1458.49 1747.78 307.32 o 6 1 0 12.64 -185.12 353.48 o 7 1 0 413.94 368.31 452.66 o 8 1 0 381.95 451.12 546.05 o 9 1 0 5895.56 5187.34 875.06 o 10 1 0 2234.10 3002.61 950.82 o 0 2 0 14952.76 18173.31 678.44 o 1 2 0 56.58 263.31 131.91 o 2 2 0 446832.25 458722.09 5304.16 o 3 2 0 1814.02 1237.78 382.68 o 4 2 0 34749.12 32760.60 834.42 o 5 2 0 1746.14 1390.65 320.43 o 6 2 0 250902.16 251118.00 3683.79 o 7 2 0 9083.92 9514.11 802.40 o 8 2 0 9021.78 10136.95 921.99 o 9 2 0 2269.36 3350.64 813.54 o 10 2 0 86452.27 80944.27 2530.39 o 1 3 0 2758.43 3412.21 249.23 o 2 3 0 7640.97 8211.96 363.88 o 3 3 0 5699.15 5685.01 339.07 o 4 3 0 40528.11 38619.59 1040.41 o 5 3 0 24720.57 23535.36 729.25 o 6 3 0 57431.70 57289.92 1269.72 o 7 3 0 7258.36 7790.51 895.80 o 8 3 0 19905.39 20851.86 1142.62 o 9 3 0 22967.55 23049.53 1343.18 o 10 3 0 15542.54 19021.18 1812.23 o 0 4 0 10707.06 18733.34 1477.74 o 1 4 0 195.81 476.25 251.02 o 2 4 0 446.19 3258.89 288.55 o 3 4 0 809.15 1024.93 301.01 o 4 4 0 17875.34 18396.19 576.13 o 5 4 0 1015.42 1166.95 353.13 o 6 4 0 1796.42 2316.29 430.41 o 7 4 0 1028.46 815.30 497.42 o 8 4 0 414.56 2066.74 1126.80 o 9 4 0 2787.57 2768.82 878.52 o 10 4 0 66.47 16.90 977.04 o 1 5 0 3793.63 5506.26 381.45 o 2 5 0 9964.69 10199.99 572.56 o 3 5 0 15903.51 16741.59 855.30 o 4 5 0 3847.58 4195.03 386.83 o 5 5 0 32279.10 31001.89 978.31 o 6 5 0 4089.29 4216.57 496.41 o 7 5 0 20904.40 18299.61 1007.43 o 8 5 0 7106.96 5820.48 852.24 o 9 5 0 19544.01 19379.14 1349.29 o 10 5 0 2871.77 4129.59 1134.63 o 0 6 0 17940.92 17787.38 878.54 o 1 6 0 2466.30 2912.50 382.84 o 2 6 0 9158.15 9802.89 508.55 o 3 6 0 822.25 1273.11 324.78 o 4 6 0 47306.24 47710.29 1008.98 o 5 6 0 18815.08 19063.97 763.28 o 6 6 0 13338.21 12670.18 742.08 o 7 6 0 1501.48 1915.09 544.76 o 8 6 0 31078.50 29803.92 1438.48 o 9 6 0 22331.35 24989.46 1509.28 o 10 6 0 19806.28 19917.32 2426.31 o 1 7 0 749.74 841.04 377.21 o 2 7 0 2129.12 2452.50 419.75 o 3 7 0 304.11 472.32 356.56 o 4 7 0 1141.46 1372.54 380.89 o 5 7 0 2338.02 3166.38 488.66 o 6 7 0 172.62 556.11 435.76 o 7 7 0 5439.92 6060.80 687.29 o 8 7 0 2935.05 3440.30 864.61 o 9 7 0 2529.13 1765.94 996.89 o 10 7 0 6.41 1153.69 1212.64 o 0 8 0 2049839.13 1910091.13 38771.89 o 1 8 0 2764.56 3115.18 522.48 o 2 8 0 10413.37 11602.39 627.08 o 3 8 0 1054.03 1666.56 409.85 o 4 8 0 1466597.13 1474120.88 19573.56 o 5 8 0 645.96 715.87 452.78 o 6 8 0 10948.23 11647.83 805.18 o 7 8 0 569.26 733.47 565.09 o 8 8 0 512674.69 510091.72 8296.14 o 9 8 0 6410.46 7668.23 1253.98 o 10 8 0 30655.10 33253.37 2384.21 o 1 9 0 471.11 921.05 419.05 o 2 9 0 1887.27 4121.46 1283.35 o 3 9 0 282.07 418.20 395.27 o 4 9 0 2793.38 3456.67 513.15 o 5 9 0 296.01 992.40 718.00 o 6 9 0 21155.13 20241.95 1069.57 o 7 9 0 9.33 329.03 594.94 o 8 9 0 581.69 991.26 907.73 o 9 9 0 950.23 1002.84 1337.40 o 0 10 0 400627.97 383864.63 15168.46 o 1 10 0 6147.75 7484.90 608.84 o 2 10 0 925753.38 914422.31 23404.24 o 3 10 0 13080.98 13498.25 719.74 o 4 10 0 248585.14 254170.09 4230.22 o 5 10 0 2525.79 3360.75 663.62 o 6 10 0 407858.94 418185.97 6971.98 o 7 10 0 15296.87 13678.82 1008.23 o 8 10 0 156493.73 157127.58 4213.49 o 9 10 0 851.71 685.98 1462.80 o 1 11 0 490.38 553.38 442.13 o 2 11 0 13726.45 16450.66 1405.26 o 3 11 0 84.60 657.27 483.56 o 4 11 0 12104.94 12251.25 768.07 o 5 11 0 61.69 330.07 694.14 o 6 11 0 22985.81 23935.06 1252.48 o 7 11 0 892.61 401.18 993.07 o 8 11 0 12571.24 12999.45 1722.88 o 9 11 0 479.06 1821.02 1539.72 o 0 12 0 15164.25 14867.02 1135.25 o 1 12 0 6884.13 7124.53 663.65 o 2 12 0 10171.36 9676.58 746.13 o 3 12 0 14504.08 14737.26 829.34 o 4 12 0 1861.26 1813.07 587.40 o 5 12 0 376.24 781.72 751.13 o 6 12 0 1331.04 1806.01 983.28 o 7 12 0 10647.81 11284.74 1530.97 o 8 12 0 1530.70 688.70 1691.97 o 1 13 0 35.59 90.72 486.05 o 2 13 0 3346.03 3634.24 624.78 o 3 13 0 9189.86 9025.10 779.25 o 4 13 0 787.35 1596.84 692.05 o 5 13 0 938.37 932.93 996.73 o 6 13 0 2010.43 2747.88 1109.62 o 7 13 0 12379.40 12207.99 1511.34 o 8 13 0 3180.87 3286.58 1890.37 o 0 14 0 5792.83 5594.94 945.22 o 1 14 0 8188.48 8614.49 766.47 o 2 14 0 7300.99 7611.08 770.26 o 3 14 0 14250.71 14996.75 1702.99 o 4 14 0 3608.23 5147.89 865.13 o 5 14 0 1039.61 1769.06 1130.80 o 6 14 0 2.49 1431.36 1254.67 o 7 14 0 9528.31 10056.07 1746.37 o 1 15 0 1264.05 2261.20 700.00 o 2 15 0 157.40 547.22 709.28 o 3 15 0 23.71 147.34 762.39 o 4 15 0 4065.05 3903.51 1131.16 o 5 15 0 2013.94 1158.40 1347.27 o 6 15 0 794.62 2374.89 1459.42 o 7 15 0 1403.71 1486.23 1616.24 o 0 16 0 100797.38 90625.49 3489.79 o 1 16 0 580.35 463.35 791.77 o 2 16 0 720.89 851.88 854.23 o 3 16 0 744.21 1146.15 980.21 o 4 16 0 57249.86 53065.20 2915.67 o 5 16 0 4808.69 3449.55 2058.53 o 6 16 0 504.90 2549.77 1864.34 o 1 17 0 1681.43 1450.37 910.29 o 2 17 0 3605.67 4552.70 1122.19 o 3 17 0 407.30 339.07 1035.34 o 4 17 0 7941.63 7021.95 1702.24 o 5 17 0 2325.43 2321.12 2084.27 o 6 17 0 4239.18 5539.14 2141.74 o 0 18 0 92363.81 92102.18 5034.11 o 1 18 0 19650.15 18213.15 1809.01 o 2 18 0 375004.03 365314.94 16426.73 o 3 18 0 19936.77 20028.58 1871.85 o 4 18 0 112374.55 110997.28 5162.68 o 5 18 0 11598.39 9072.19 2216.39 o 1 19 0 1612.82 2907.24 1377.14 o 2 19 0 374.04 1984.92 1417.80 o 3 19 0 19.65 -137.75 1474.37 o 0 20 0 1129.33 2644.04 1929.20 o 1 20 0 10475.21 7101.96 1642.98 o 1 0 1 52.43 93.95 83.61 o 2 0 1 674.10 1177.67 140.58 o 3 0 1 433.00 514.85 156.31 o 4 0 1 56020.25 57690.47 1083.60 o 5 0 1 11596.93 10393.06 499.02 o 6 0 1 16855.88 15468.01 784.85 o 7 0 1 527.33 522.80 476.88 o 8 0 1 41681.61 41593.19 1498.18 o 9 0 1 20851.15 21963.54 1284.55 o 10 0 1 1333.33 2025.10 943.18 o -10 1 1 49383.62 51923.03 2023.04 o -9 1 1 1857.35 2510.08 749.52 o -8 1 1 19843.90 18930.49 1087.64 o -7 1 1 7810.53 7562.81 728.73 o -6 1 1 130235.66 128353.90 2524.95 o -5 1 1 3003.70 2958.59 363.05 o -4 1 1 5287.41 5319.62 336.12 o -3 1 1 2806.91 2959.24 210.67 o -2 1 1 356781.91 371017.84 5892.40 o -1 1 1 1673.39 2233.66 140.12 o 0 1 1 2018.15 3598.59 416.34 o 1 1 1 1697.12 2393.78 214.81 o 2 1 1 357017.91 366304.97 5238.33 o 3 1 1 2834.26 3083.29 264.10 o 4 1 1 4050.04 4133.38 344.64 o 5 1 1 3044.06 3113.17 346.05 o 6 1 1 130733.06 127737.82 2395.84 o 7 1 1 7872.27 7291.17 724.79 o 8 1 1 18941.32 19154.28 1147.57 o 9 1 1 1906.23 1642.50 712.26 o 10 1 1 49436.31 49473.84 2001.22 o -10 2 1 20375.77 19137.46 1460.70 o -9 2 1 3173.02 3961.87 857.05 o -8 2 1 67271.05 66757.96 1932.92 o -7 2 1 4718.91 4453.47 621.33 o -6 2 1 82057.94 81687.15 1547.80 o -5 2 1 6018.62 5954.02 441.69 o -4 2 1 65460.25 62166.94 1164.42 o -3 2 1 129.50 250.43 231.38 o -2 2 1 229308.88 240123.38 3664.50 o -1 2 1 5920.40 6449.44 221.91 o 0 2 1 55010.49 63885.46 1911.23 o 1 2 1 5878.04 6475.51 239.53 o 2 2 1 224841.41 232100.38 3090.11 o 3 2 1 123.59 130.81 197.27 o 4 2 1 67156.70 63939.71 1043.20 o 5 2 1 5899.29 6198.56 441.83 o 6 2 1 80655.31 80545.34 1561.79 o 7 2 1 4782.14 5099.28 678.18 o 8 2 1 69390.98 70652.73 1979.62 o 9 2 1 3005.18 3162.53 844.09 o 10 2 1 19039.74 20884.46 1478.66 o -10 3 1 16740.74 18192.05 1491.94 o -9 3 1 554.60 790.56 735.34 o -8 3 1 16253.24 16185.05 1068.83 o -7 3 1 4479.27 5175.53 660.16 o -6 3 1 77730.52 77651.55 1761.83 o -5 3 1 5636.31 5856.94 449.15 o -4 3 1 21660.93 21634.93 1050.06 o -3 3 1 3329.81 3295.45 264.91 o -2 3 1 193409.25 211700.73 3511.87 o -1 3 1 5642.66 5935.08 269.84 o 0 3 1 189.90 1124.89 233.74 o 1 3 1 5561.80 5732.06 334.53 o 2 3 1 194502.92 203614.44 2928.06 o 3 3 1 3477.64 3666.81 317.68 o 4 3 1 21111.96 19824.23 566.92 o 5 3 1 5290.20 5871.74 452.07 o 6 3 1 79014.93 74975.68 2513.83 o 7 3 1 4876.44 5635.86 679.77 o 8 3 1 15627.83 15832.42 1372.12 o 9 3 1 432.42 665.52 744.74 o 10 3 1 17708.29 19268.15 1666.39 o -10 4 1 3201.75 2884.84 1106.66 o -9 4 1 4213.03 4156.83 934.04 o -8 4 1 4668.22 4669.70 789.08 o -7 4 1 9947.06 10171.65 869.12 o -6 4 1 3584.16 4631.98 494.37 o -5 4 1 14478.64 14984.57 752.39 o -4 4 1 1964.66 1915.78 354.79 o -3 4 1 6812.65 6764.41 351.74 o -2 4 1 9524.75 10159.28 402.05 o -1 4 1 7656.63 8118.39 380.42 o 0 4 1 1122.50 1566.07 327.98 o 1 4 1 7684.89 8412.84 406.51 o 2 4 1 9807.34 9849.67 407.53 o 3 4 1 6903.96 6879.27 426.55 o 4 4 1 2037.32 2096.43 325.01 o 5 4 1 14409.23 13825.38 617.81 o 6 4 1 3709.69 4608.92 491.47 o 7 4 1 10067.33 9764.12 842.46 o 8 4 1 4700.54 6046.21 834.00 o 9 4 1 4225.71 5328.58 974.40 o 10 4 1 3212.25 3603.07 1133.76 o -10 5 1 19092.43 19374.37 1565.83 o -9 5 1 1692.14 2032.21 843.83 o -8 5 1 21869.18 20781.57 1214.15 o -7 5 1 14246.00 13787.56 905.90 o -6 5 1 35412.87 32974.30 1604.46 o -5 5 1 4428.92 4540.70 485.50 o -4 5 1 19608.65 19592.28 599.64 o -3 5 1 3050.03 3754.83 346.59 o -2 5 1 10477.24 11518.37 657.68 o -1 5 1 3243.15 3827.55 355.98 o 0 5 1 1087.46 1348.25 336.24 o 1 5 1 3264.96 3099.39 656.10 o 2 5 1 10151.33 10748.75 458.28 o 3 5 1 3062.62 3345.15 379.07 o 4 5 1 20119.66 19049.52 632.05 o 5 5 1 4542.65 4802.20 473.03 o 6 5 1 34774.52 33437.32 986.76 o 7 5 1 14390.20 14623.91 954.48 o 8 5 1 22033.45 21155.19 1183.20 o 9 5 1 1828.65 1270.93 802.39 o 10 5 1 19015.05 19365.11 1931.80 o -10 6 1 21730.52 21169.59 1669.63 o -9 6 1 6242.28 5550.89 1031.38 o -8 6 1 12665.98 13615.52 1112.95 o -7 6 1 3107.41 2895.13 643.68 o -6 6 1 111165.15 104828.45 3074.08 o -5 6 1 9386.83 9697.65 616.27 o -4 6 1 21881.50 22225.35 633.25 o -3 6 1 1393.42 1314.45 325.20 o -2 6 1 288524.03 292257.13 4489.77 o -1 6 1 6541.67 7961.64 476.54 o 0 6 1 412.77 753.73 345.50 o 1 6 1 6600.32 6505.88 866.03 o 2 6 1 287973.06 294824.75 3712.40 o 3 6 1 1471.51 1653.78 332.61 o 4 6 1 20097.63 19670.02 733.00 o 5 6 1 9378.27 10537.43 697.53 o 6 6 1 113321.92 107848.66 2031.88 o 7 6 1 3266.83 4310.37 604.26 o 8 6 1 11536.01 11561.44 1093.36 o 9 6 1 6187.61 7051.43 1104.04 o 10 6 1 22499.10 23453.22 1698.81 o -10 7 1 53024.39 54111.38 2933.73 o -9 7 1 2848.53 2621.44 996.09 o -8 7 1 4894.83 4354.56 880.71 o -7 7 1 2882.99 3418.31 628.53 o -6 7 1 189846.77 184523.39 3174.51 o -5 7 1 5135.34 5370.52 558.90 o -4 7 1 27272.71 28644.06 1201.62 o -3 7 1 831.65 979.68 355.44 o -2 7 1 358409.34 373252.69 7815.63 o -1 7 1 2207.77 2447.98 422.24 o 0 7 1 19933.44 19886.69 763.47 o 1 7 1 2157.23 1798.09 394.99 o 2 7 1 357465.88 373964.78 4659.94 o 3 7 1 720.18 864.24 383.58 o 4 7 1 26856.58 27470.52 940.40 o 5 7 1 4893.58 5107.62 548.13 o 6 7 1 188728.33 186518.31 3070.02 o 7 7 1 2679.58 3043.16 603.22 o 8 7 1 4359.37 5613.51 938.39 o 9 7 1 2704.53 3570.79 1055.08 o 10 7 1 52588.23 56666.03 2381.33 o -10 8 1 4296.43 3678.34 1436.36 o -9 8 1 14730.16 15324.08 3962.76 o -8 8 1 127841.03 122894.89 2953.20 o -7 8 1 7534.86 8286.10 786.78 o -6 8 1 4115.81 6350.89 1373.40 o -5 8 1 13608.10 14831.28 799.32 o -4 8 1 267772.50 277680.00 5300.85 o -3 8 1 6991.24 7687.67 552.10 o -2 8 1 42467.29 43269.86 1017.09 o -1 8 1 6201.46 6448.94 573.22 o 0 8 1 382075.38 344519.28 7877.86 o 1 8 1 6080.16 5857.41 970.87 o 2 8 1 44543.59 44200.73 1173.16 o 3 8 1 7177.10 7901.29 558.25 o 4 8 1 266231.91 263959.91 3954.44 o 5 8 1 13455.37 14033.36 1224.14 o 6 8 1 5434.01 6322.28 646.14 o 7 8 1 7758.31 7773.31 762.82 o 8 8 1 125896.13 129380.16 3096.23 o 9 8 1 14706.89 13871.82 1406.54 o 10 8 1 5526.47 3744.96 1494.85 o -9 9 1 575.86 1323.67 1364.60 o -8 9 1 4932.13 6069.49 1287.04 o -7 9 1 5535.58 4040.22 881.84 o -6 9 1 35194.26 35061.09 1211.30 o -5 9 1 1294.48 1676.87 529.69 o -4 9 1 4588.59 5960.75 570.56 o -3 9 1 3987.09 3727.52 555.34 o -2 9 1 110808.27 112552.89 3092.37 o -1 9 1 2288.69 1915.27 459.28 o 0 9 1 10258.83 8884.14 1074.97 o 1 9 1 2317.24 2170.50 465.64 o 2 9 1 110780.84 115018.28 2832.12 o 3 9 1 3968.31 4039.34 493.69 o 4 9 1 4980.52 6471.66 612.27 o 5 9 1 1292.41 1788.18 589.53 o 6 9 1 35301.63 33848.09 1185.58 o 7 9 1 5428.60 6238.00 784.38 o 8 9 1 4993.26 6803.25 1093.71 o 9 9 1 562.88 587.34 1223.93 o -9 10 1 2868.76 3736.61 1570.58 o -8 10 1 18821.15 17696.71 1698.25 o -7 10 1 2060.32 2369.66 853.44 o -6 10 1 25920.98 26533.67 1162.13 o -5 10 1 4515.94 5598.79 646.91 o -4 10 1 22308.47 21316.74 868.70 o -3 10 1 873.51 713.64 451.93 o -2 10 1 59095.29 60840.98 2464.10 o -1 10 1 6683.00 7270.35 606.47 o 0 10 1 20398.56 18030.04 883.04 o 1 10 1 6486.71 6647.64 963.41 o 2 10 1 59639.81 59345.55 1388.03 o 3 10 1 953.25 1151.21 456.33 o 4 10 1 22531.39 23622.38 912.55 o 5 10 1 4424.13 5644.78 840.00 o 6 10 1 25288.16 24520.88 1117.28 o 7 10 1 1919.34 2256.00 768.27 o 8 10 1 18572.51 18167.06 1780.23 o 9 10 1 2948.40 3662.59 1565.73 o -9 11 1 6436.22 5446.57 1705.94 o -8 11 1 65672.77 65144.00 2736.53 o -7 11 1 2445.83 2819.97 976.28 o -6 11 1 136103.05 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