#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/76/2017655.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_2017655_Fobs loop_ _publ_author_name 'Gulay, L. D.' 'Daszkiewicz, M.' 'Ostapyuk, T. A.' 'Klymovych, O. S.' 'Zmiy, O. F.' _publ_section_title ; Monoclinic Cu~2~Se~3~Sn ; _journal_coeditor_code SQ3242 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i58 _journal_page_last i60 _journal_volume 66 _journal_year 2010 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 94.970 _cell_angle_gamma 90.000 _cell_length_a 6.9612 _cell_length_b 12.0430 _cell_length_c 26.4810 _exptl_crystal_F_000 3360.00 _reflns_d_resolution_high 0.7701 _[local]_cod_data_source_file sq3242Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Cc in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 2273.29 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l 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1725.07 1861.99 o 4 6 -28 3864.20 4037.02 1975.87 o 1 7 -28 8928.05 12741.35 4291.56 o 3 7 -28 709.05 1216.65 1262.78 o 0 8 -28 13722.34 14351.30 3695.65 o 2 8 -28 1708.99 953.97 2868.11 o 1 9 -28 668.99 1975.77 2753.07 o 1 1 -27 2157.03 2224.86 1408.30 o 3 1 -27 8218.76 5952.18 2012.59 o 5 1 -27 3250.09 2570.96 2148.87 o 0 2 -27 763.58 1790.02 1706.41 o 2 2 -27 1072.91 642.63 1222.60 o 4 2 -27 26714.69 24892.20 3065.89 o 6 2 -27 24112.14 20814.44 4027.92 o -1 3 -27 1136.91 1653.86 2827.66 o 1 3 -27 5317.70 5609.91 2364.84 o 3 3 -27 401.21 1612.11 1427.39 o 5 3 -27 1175.01 1817.20 2290.84 o 0 4 -27 943.07 1585.67 2570.52 o 2 4 -27 2942.93 3697.08 1774.38 o 4 4 -27 33708.48 33702.48 3546.22 o 1 5 -27 5207.80 5786.25 2817.20 o 3 5 -27 18143.28 22140.46 2918.11 o 5 5 -27 4194.06 3052.11 1721.18 o 2 6 -27 1031.63 1319.08 1337.01 o 4 6 -27 700.68 1424.15 1785.54 o 1 7 -27 360.54 3304.16 3307.26 o 3 7 -27 1391.55 2165.10 1574.51 o -2 8 -27 15415.67 17219.26 3851.68 o 0 8 -27 1039.07 1917.05 2158.61 o 2 8 -27 679.22 1554.61 2570.37 o 1 9 -27 3704.83 9431.05 3181.90 o 2 0 -26 1116.17 619.43 1499.01 o 4 0 -26 1679.18 3435.00 3171.72 o 6 0 -26 247717.13 237614.13 8192.04 o 1 1 -26 29072.41 31282.24 2079.35 o 3 1 -26 17573.24 16382.35 2077.64 o 5 1 -26 1495.87 1060.99 1840.74 o 0 2 -26 18727.07 22566.93 2945.54 o 2 2 -26 4047.90 3714.17 1423.05 o 4 2 -26 3979.96 4207.75 2043.07 o 6 2 -26 2613.50 2761.64 1947.37 o 1 3 -26 221.62 959.96 1421.35 o 3 3 -26 191.96 2576.84 2582.57 o 5 3 -26 323.36 2900.18 2548.59 o 0 4 -26 4764.65 9030.83 3523.70 o 2 4 -26 5730.70 5456.56 1386.19 o 4 4 -26 9972.16 10410.33 2120.29 o 6 4 -26 1323.95 3038.42 2412.99 o 1 5 -26 17013.58 14083.98 3046.61 o 3 5 -26 34769.97 36939.45 2472.23 o 5 5 -26 220.37 782.34 1296.79 o 0 6 -26 442.87 514.06 1811.59 o 2 6 -26 1217.27 1995.54 2116.45 o 4 6 -26 1065.16 1651.37 1483.42 o -1 7 -26 1890.55 1338.10 1886.35 o 1 7 -26 30271.08 25868.64 3924.02 o 3 7 -26 3375.31 2801.31 1440.02 o -2 8 -26 3326.22 2524.94 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9042.40 9846.08 2400.27 o 1 7 -25 14306.36 16196.29 3566.41 o 3 7 -25 393.58 1028.90 1323.49 o 5 7 -25 4740.05 2168.75 1984.41 o -2 8 -25 7423.59 10403.93 3878.22 o 0 8 -25 23341.57 24812.83 3415.92 o 2 8 -25 460.43 40.26 2356.62 o 4 8 -25 1922.87 2846.44 3100.54 o -1 9 -25 1205.63 207.50 1966.65 o 1 9 -25 398.44 445.92 2149.11 o 3 9 -25 251781.55 251482.84 7174.94 o 0 10 -25 8380.18 8978.89 3078.74 o 2 10 -25 957.34 579.13 2988.56 o 2 0 -24 914.86 1715.77 2040.96 o 4 0 -24 1095.23 3242.67 2771.91 o 6 0 -24 13461.65 13454.92 4083.64 o 1 1 -24 261.58 538.82 1210.80 o 3 1 -24 6951.94 5544.83 1729.47 o 5 1 -24 4881.93 6948.53 2510.22 o 0 2 -24 791.93 2378.49 1948.00 o 2 2 -24 2305.16 2088.96 1092.32 o 4 2 -24 5522.78 5878.96 1648.27 o 6 2 -24 377.34 1690.49 2416.50 o 1 3 -24 129.75 281.79 1086.90 o 3 3 -24 1413.62 3697.98 1688.06 o 5 3 -24 269.14 3874.35 1698.02 o 0 4 -24 107.97 1768.14 2186.18 o 2 4 -24 3406.47 4021.13 1029.67 o 4 4 -24 1668.65 1682.48 1134.37 o 6 4 -24 667.05 1472.16 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