#------------------------------------------------------------------------------ #$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $ #$Revision: 88054 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/77/2237763.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_2237763_Fobs loop_ _publ_author_name 'Ben Smida, Youssef' 'Guesmi, Abderrahmen' 'Driss, Ahmed' _publ_section_title ; LiCo~2~As~3~O~10~: une nouvelle structure \`a tunnels interconnect\'es ; _journal_coeditor_code BR2224 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i39 _journal_volume 69 _journal_year 2013 _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90.000 _cell_angle_beta 98.080 _cell_angle_gamma 90.000 _cell_length_a 4.8300 _cell_length_b 8.7210 _cell_length_c 9.3269 _exptl_crystal_F_000 472.00 _reflns_d_resolution_high 0.7840 _[local]_cod_data_source_file br2224Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' smida2 in P 21/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 234.12 _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+1/2, -z' '-x, -y, -z' 'x, -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 1 0 0 1977.10 1920.29 14.34 o 2 0 0 2477.23 2326.41 22.40 o 3 0 0 5349.63 5304.17 72.59 o 4 0 0 28.12 36.18 15.57 o 5 0 0 1762.08 1717.50 39.42 o 6 0 0 47.71 54.11 9.69 o 1 1 0 1284.23 1318.91 15.67 o 2 1 0 35.53 57.52 6.83 o 3 1 0 7.82 12.16 4.78 o 4 1 0 1771.42 1840.11 21.96 o 5 1 0 427.85 450.85 14.33 o 6 1 0 1490.00 1460.64 27.62 o 0 2 0 16170.37 17005.74 69.35 o 1 2 0 48487.57 51746.00 1771.06 o 2 2 0 102.42 111.55 6.40 o 3 2 0 65.77 82.10 5.74 o 4 2 0 4140.87 4141.96 71.26 o 5 2 0 9.99 20.46 10.25 o 6 2 0 15.82 28.11 13.39 o 1 3 0 520.29 629.89 30.29 o 2 3 0 2099.51 2100.35 70.49 o 3 3 0 2276.74 2338.70 30.62 o 4 3 0 425.27 452.73 24.96 o 5 3 0 576.59 579.36 47.66 o 0 4 0 21698.82 22694.29 112.51 o 1 4 0 18170.43 19469.61 368.44 o 2 4 0 1390.55 1569.17 23.12 o 3 4 0 1650.42 1592.61 30.49 o 4 4 0 1594.55 1616.35 32.07 o 5 4 0 178.94 189.65 13.28 o 1 5 0 869.90 846.32 21.10 o 2 5 0 162.94 167.73 9.96 o 3 5 0 441.81 449.08 21.51 o 4 5 0 2451.70 2480.74 83.84 o 5 5 0 1104.76 1183.60 34.03 o 0 6 0 54813.35 58295.33 244.67 o 1 6 0 2339.51 2461.11 31.51 o 2 6 0 912.92 958.50 30.96 o 3 6 0 2104.83 2170.78 36.28 o 4 6 0 35.11 45.61 8.70 o 5 6 0 845.72 823.75 67.04 o 1 7 0 271.31 291.93 13.17 o 2 7 0 199.87 204.87 12.82 o 3 7 0 203.49 188.90 12.09 o 4 7 0 101.50 101.93 9.20 o 0 8 0 3918.13 3923.50 67.64 o 1 8 0 16079.03 16683.12 199.12 o 2 8 0 379.12 351.54 17.44 o 3 8 0 14.07 48.29 6.79 o 4 8 0 2340.27 2389.99 48.82 o 1 9 0 1.40 -6.57 9.28 o 2 9 0 401.55 423.60 20.00 o 3 9 0 335.93 357.12 20.20 o 0 10 0 9648.46 10040.22 130.78 o 1 10 0 2247.13 2322.86 44.75 o 2 10 0 1501.73 1521.60 38.68 o -6 0 1 454.92 419.40 24.41 o -5 0 1 2002.18 2054.21 88.08 o -4 0 1 8.01 26.08 8.73 o -3 0 1 395.14 419.45 13.35 o -2 0 1 3.79 34.25 5.42 o -1 0 1 3409.37 3301.82 68.02 o 0 0 1 2833.12 2255.25 17.98 o 1 0 1 2565.08 2709.60 23.83 o 2 0 1 303.73 241.87 9.39 o 3 0 1 11091.56 11596.46 181.16 o 4 0 1 376.61 394.33 16.56 o 5 0 1 18677.33 19098.04 204.53 o 6 0 1 272.49 263.67 18.12 o -6 1 1 1048.18 1018.84 23.41 o -5 1 1 213.26 328.35 43.01 o -4 1 1 10016.17 10410.34 51.97 o -3 1 1 6422.19 6590.19 58.47 o -2 1 1 16833.78 17198.82 57.86 o -1 1 1 2392.59 2420.77 53.00 o 0 1 1 557.15 590.47 14.42 o 1 1 1 9473.16 9964.74 167.37 o 2 1 1 330.89 380.26 9.90 o 3 1 1 3.93 5.37 5.08 o 4 1 1 1189.46 1228.63 21.53 o 5 1 1 298.68 283.87 16.98 o -6 2 1 450.10 479.75 25.43 o -5 2 1 6.98 15.78 6.85 o -4 2 1 1695.34 1705.78 30.66 o -3 2 1 61.02 68.12 5.77 o -2 2 1 570.46 576.08 21.91 o -1 2 1 268.96 306.44 9.29 o 0 2 1 860.08 855.80 39.71 o 1 2 1 3234.68 3171.39 46.61 o 2 2 1 2661.02 2824.45 29.71 o 3 2 1 913.15 944.72 24.56 o 4 2 1 14515.18 14790.77 104.26 o 5 2 1 1749.37 1736.55 37.56 o -5 3 1 297.94 285.12 17.43 o -4 3 1 8.61 12.43 9.81 o -3 3 1 42249.80 44025.26 572.29 o -2 3 1 2659.01 2613.15 31.67 o -1 3 1 5006.13 4709.73 106.92 o 0 3 1 5919.81 6111.84 84.35 o 1 3 1 1228.39 1353.51 31.08 o 2 3 1 5821.98 5828.70 76.82 o 3 3 1 747.05 784.27 24.20 o 4 3 1 415.27 432.08 18.27 o 5 3 1 50.00 48.74 8.38 o -5 4 1 121.42 130.93 9.58 o -4 4 1 624.46 572.20 21.78 o -3 4 1 322.22 292.29 20.50 o -2 4 1 650.94 698.18 17.92 o -1 4 1 532.35 586.61 21.01 o 0 4 1 15.65 17.05 3.18 o 1 4 1 646.69 666.31 14.20 o 2 4 1 158.14 173.26 9.71 o 3 4 1 3454.98 3358.87 124.70 o 4 4 1 7281.65 7268.56 71.17 o 5 4 1 3214.79 3153.63 53.19 o -5 5 1 759.88 758.46 29.01 o -4 5 1 9813.00 10308.63 338.61 o -3 5 1 2286.34 2434.95 103.80 o -2 5 1 21062.16 21935.69 586.42 o -1 5 1 6.51 12.78 5.63 o 0 5 1 2013.44 2086.77 25.89 o 1 5 1 8114.17 8358.45 54.22 o 2 5 1 1.75 28.42 8.94 o 3 5 1 45.91 48.95 4.78 o 4 5 1 795.19 785.99 30.86 o 5 5 1 294.36 317.16 21.15 o -5 6 1 857.52 897.15 34.31 o -4 6 1 12.15 -10.56 13.67 o -3 6 1 103.82 99.72 10.47 o -2 6 1 1.24 2.41 6.97 o -1 6 1 1342.92 1387.60 34.23 o 0 6 1 937.66 969.16 20.14 o 1 6 1 526.10 499.55 15.36 o 2 6 1 227.39 251.10 13.10 o 3 6 1 5141.10 5180.85 56.85 o 4 6 1 591.43 624.08 25.90 o 5 6 1 10955.51 10692.42 194.23 o -4 7 1 2562.76 2637.28 49.70 o -3 7 1 7893.54 8315.15 180.82 o -2 7 1 3521.75 3533.44 71.66 o -1 7 1 4823.68 4950.87 75.01 o 0 7 1 353.49 329.75 14.67 o 1 7 1 1039.34 1031.52 26.62 o 2 7 1 903.86 885.50 23.69 o 3 7 1 86.75 99.23 10.95 o 4 7 1 509.06 519.14 60.23 o -4 8 1 788.63 783.21 42.41 o -3 8 1 2.52 11.07 9.61 o -2 8 1 239.59 246.63 15.24 o -1 8 1 0.54 0.96 5.40 o 0 8 1 673.44 689.73 21.42 o 1 8 1 2138.14 2144.56 36.36 o 2 8 1 1692.95 1681.89 34.14 o 3 8 1 1.88 21.41 9.70 o 4 8 1 9085.08 9226.72 210.80 o -3 9 1 11468.98 11587.28 166.37 o -2 9 1 2788.38 2849.62 48.20 o -1 9 1 1409.50 1343.26 31.97 o 0 9 1 576.31 564.97 34.36 o 1 9 1 8.37 24.74 21.70 o 2 9 1 1189.42 1104.17 31.51 o 3 9 1 116.38 116.94 8.10 o -2 10 1 108.73 119.68 7.92 o -1 10 1 418.81 417.30 20.71 o 0 10 1 194.55 189.64 13.29 o 1 10 1 7.69 -11.26 16.11 o 2 10 1 291.54 290.59 18.22 o 0 11 1 603.25 554.59 25.72 o -6 0 2 9262.72 9323.45 95.56 o -5 0 2 3584.95 3538.53 50.38 o -4 0 2 12462.67 13280.52 128.19 o -3 0 2 2602.93 2577.84 75.62 o -2 0 2 1569.07 1607.00 34.81 o -1 0 2 12156.43 11372.08 165.72 o 0 0 2 2554.99 2163.42 65.85 o 1 0 2 104.69 112.72 11.89 o 2 0 2 61.32 67.73 4.37 o 3 0 2 302.44 307.31 16.96 o 4 0 2 1882.92 1831.30 34.24 o 5 0 2 0.18 14.79 18.53 o -6 1 2 74.37 73.20 5.94 o -5 1 2 19.25 12.82 7.66 o -4 1 2 66.42 70.57 3.85 o -3 1 2 40.02 47.29 2.93 o -2 1 2 926.73 869.35 12.43 o -1 1 2 3.40 13.19 3.47 o 0 1 2 102.08 124.28 5.27 o 1 1 2 22960.75 23320.15 840.77 o 2 1 2 9496.84 9865.17 41.71 o 3 1 2 15316.89 16073.09 61.81 o 4 1 2 381.87 389.57 12.42 o 5 1 2 308.27 328.31 13.54 o -6 2 2 1101.72 1071.55 34.25 o -5 2 2 10535.03 10711.21 90.75 o -4 2 2 2372.00 2431.10 36.90 o -3 2 2 4295.40 4275.92 42.44 o -2 2 2 8433.29 8537.59 114.16 o -1 2 2 195.46 227.97 9.38 o 0 2 2 519.55 477.03 11.07 o 1 2 2 2224.51 2138.40 66.21 o 2 2 2 686.36 731.11 30.78 o 3 2 2 349.30 333.57 15.09 o 4 2 2 106.60 118.82 9.76 o 5 2 2 1458.99 1377.15 68.96 o -5 3 2 29.28 34.59 12.90 o -4 3 2 212.05 230.17 15.20 o -3 3 2 786.26 856.39 21.81 o -2 3 2 401.86 412.78 27.52 o -1 3 2 1105.49 972.59 21.99 o 0 3 2 6729.53 6779.70 40.91 o 1 3 2 1678.67 1942.71 23.92 o 2 3 2 49381.11 50979.20 270.77 o 3 3 2 5508.46 5534.60 75.92 o 4 3 2 2107.62 2173.23 63.72 o 5 3 2 4268.27 4102.81 61.43 o -5 4 2 4948.56 5144.61 67.42 o -4 4 2 5109.96 5213.14 126.22 o -3 4 2 1110.73 1047.92 71.28 o -2 4 2 2700.50 2778.53 34.46 o -1 4 2 1360.86 1454.57 21.88 o 0 4 2 25.76 36.15 9.81 o 1 4 2 1298.67 1320.32 21.24 o 2 4 2 514.92 516.33 16.48 o 3 4 2 97.13 98.51 7.68 o 4 4 2 536.33 565.14 23.53 o 5 4 2 388.76 334.07 21.72 o -5 5 2 4.88 20.77 13.27 o -4 5 2 8.66 17.72 11.31 o -3 5 2 218.36 215.18 19.53 o -2 5 2 1773.43 1805.57 68.36 o -1 5 2 723.48 742.96 17.47 o 0 5 2 1385.04 1438.87 22.82 o 1 5 2 19372.87 20019.52 249.87 o 2 5 2 3470.12 3497.26 40.80 o 3 5 2 16740.08 17728.19 455.06 o 4 5 2 49.26 27.70 14.63 o 5 5 2 1.45 -2.24 21.53 o -5 6 2 2941.06 3044.20 61.75 o -4 6 2 6697.52 7099.21 85.38 o -3 6 2 746.57 827.74 55.40 o -2 6 2 311.52 280.18 14.49 o -1 6 2 4321.76 4434.21 44.78 o 0 6 2 744.88 724.83 18.30 o 1 6 2 61.66 68.41 7.78 o 2 6 2 144.30 150.19 10.14 o 3 6 2 42.49 9.84 11.79 o 4 6 2 815.96 848.14 32.51 o -4 7 2 107.93 104.15 8.51 o -3 7 2 25.96 39.74 6.94 o -2 7 2 25.11 28.91 8.81 o -1 7 2 838.22 859.25 22.60 o 0 7 2 828.95 827.52 21.62 o 1 7 2 3972.89 4107.94 47.10 o 2 7 2 9939.45 10140.79 79.80 o 3 7 2 3476.92 3717.36 170.86 o 4 7 2 1574.57 1657.36 78.39 o -4 8 2 450.86 481.65 26.57 o -3 8 2 2723.89 2724.10 94.10 o -2 8 2 4170.79 4276.70 111.49 o -1 8 2 32.86 43.41 9.61 o 0 8 2 488.61 491.16 18.67 o 1 8 2 1009.69 936.93 36.06 o 2 8 2 123.16 111.26 9.09 o 3 8 2 92.68 102.28 7.17 o -3 9 2 135.40 142.05 10.76 o -2 9 2 0.56 32.07 9.92 o -1 9 2 224.94 277.03 20.18 o 0 9 2 903.63 931.91 27.41 o 1 9 2 158.15 147.97 10.38 o 2 9 2 12053.21 12317.86 273.54 o 3 9 2 3582.83 3696.15 166.91 o -2 10 2 50.81 52.25 8.41 o -1 10 2 1419.63 1431.90 36.58 o 0 10 2 105.04 100.80 7.65 o 1 10 2 111.23 98.28 7.13 o 2 10 2 250.30 220.89 16.02 o -6 0 3 1.93 18.96 15.02 o -5 0 3 113.51 116.52 10.26 o -4 0 3 2394.37 2561.46 42.50 o -3 0 3 2043.58 2047.94 29.84 o -2 0 3 4866.63 5097.29 41.11 o -1 0 3 54602.48 46891.41 149.66 o 0 0 3 13862.36 13195.25 73.83 o 1 0 3 12318.70 11924.76 68.79 o 2 0 3 12889.57 13652.79 110.09 o 3 0 3 390.99 375.23 37.75 o 4 0 3 3567.97 3595.60 49.51 o 5 0 3 35.56 28.45 10.05 o -6 1 3 2122.39 2012.39 32.69 o -5 1 3 473.80 471.77 17.32 o -4 1 3 3.61 7.09 7.49 o -3 1 3 57.74 63.04 6.16 o -2 1 3 2126.39 2114.45 34.96 o -1 1 3 1811.60 1735.33 47.07 o 0 1 3 43.03 48.67 3.90 o 1 1 3 2067.50 2134.58 66.73 o 2 1 3 2609.37 2706.22 24.29 o 3 1 3 16.51 18.41 6.95 o 4 1 3 527.99 540.65 15.08 o 5 1 3 319.69 438.39 51.43 o -6 2 3 292.21 310.06 21.35 o -5 2 3 185.10 178.99 12.68 o -4 2 3 82.82 85.89 9.96 o -3 2 3 3861.80 3938.69 132.20 o -2 2 3 14234.27 13906.51 535.76 o -1 2 3 6721.81 6315.29 252.91 o 0 2 3 27252.91 26520.00 543.78 o 1 2 3 31.53 191.98 109.57 o 2 2 3 1751.64 1744.83 71.40 o 3 2 3 6485.78 6642.19 67.18 o 4 2 3 322.03 329.78 32.95 o 5 2 3 186.53 174.40 15.09 o -5 3 3 977.99 975.99 30.62 o -4 3 3 1980.80 2016.36 55.45 o -3 3 3 1896.31 1820.55 95.21 o -2 3 3 42.72 48.95 4.16 o -1 3 3 840.65 839.50 17.55 o 0 3 3 40.07 57.95 5.35 o 1 3 3 2204.46 2151.99 79.98 o 2 3 3 90.63 111.40 8.06 o 3 3 3 1847.72 1787.95 34.81 o 4 3 3 373.61 353.24 22.24 o 5 3 3 4394.37 4160.76 65.02 o -5 4 3 3.94 -13.48 13.48 o -4 4 3 891.13 873.54 57.30 o -3 4 3 715.16 685.88 54.24 o -2 4 3 5117.90 5308.05 51.02 o -1 4 3 14683.83 15094.96 128.75 o 0 4 3 8436.17 8186.90 54.91 o 1 4 3 3249.26 3304.65 62.35 o 2 4 3 7.17 44.02 24.74 o 3 4 3 2468.72 2528.59 201.73 o 4 4 3 1186.92 1217.11 35.44 o 5 4 3 11.99 16.70 15.43 o -5 5 3 1233.07 1286.86 39.37 o -4 5 3 248.62 233.97 15.29 o -3 5 3 470.41 473.50 21.48 o -2 5 3 2156.02 2123.42 46.71 o -1 5 3 375.41 390.36 14.77 o 0 5 3 11.82 17.92 15.13 o 1 5 3 363.80 369.23 14.67 o 2 5 3 2727.68 2725.35 117.84 o 3 5 3 321.85 312.97 18.83 o 4 5 3 1297.34 1361.94 39.32 o 5 5 3 0.70 1.00 16.39 o -5 6 3 10.70 26.69 16.16 o -4 6 3 1047.05 1046.39 35.44 o -3 6 3 482.63 532.48 21.85 o -2 6 3 408.34 384.80 16.50 o -1 6 3 21410.34 22133.00 274.42 o 0 6 3 8367.53 8524.16 64.94 o 1 6 3 5438.56 5494.95 53.30 o 2 6 3 3844.87 3794.15 48.28 o 3 6 3 9.12 19.96 6.80 o 4 6 3 1769.20 1818.54 47.31 o -4 7 3 407.65 450.20 25.59 o -3 7 3 54.02 64.50 6.31 o -2 7 3 213.63 215.42 15.02 o -1 7 3 1005.48 989.19 42.56 o 0 7 3 1.29 5.77 7.90 o 1 7 3 1073.34 1026.90 26.39 o 2 7 3 287.75 269.58 26.34 o 3 7 3 168.00 160.18 13.41 o 4 7 3 6.53 33.17 15.22 o -4 8 3 1.12 -4.60 39.65 o -3 8 3 1828.44 1886.24 60.41 o -2 8 3 6290.90 6429.92 70.26 o -1 8 3 1899.97 1894.05 36.50 o 0 8 3 15624.36 15973.91 106.23 o 1 8 3 11.00 37.45 24.98 o 2 8 3 943.50 915.44 30.83 o 3 8 3 3542.69 3520.05 240.07 o -3 9 3 193.62 230.25 16.06 o -2 9 3 55.97 54.99 9.30 o -1 9 3 262.76 307.43 21.37 o 0 9 3 10.82 1.31 10.74 o 1 9 3 462.23 481.42 21.56 o 2 9 3 77.76 70.09 16.23 o 3 9 3 287.24 290.03 18.28 o -2 10 3 587.31 580.27 34.00 o -1 10 3 8228.98 8518.38 142.86 o 0 10 3 1336.43 1354.88 36.35 o 1 10 3 3218.57 3290.77 76.54 o -6 0 4 278.59 314.98 29.83 o -5 0 4 230.94 258.05 30.57 o -4 0 4 652.20 665.68 22.59 o -3 0 4 206.94 193.73 13.06 o -2 0 4 251.59 253.39 12.56 o -1 0 4 273.65 270.87 13.01 o 0 0 4 443.76 344.38 24.44 o 1 0 4 2535.34 2341.19 34.65 o 2 0 4 8145.13 8069.23 66.17 o 3 0 4 623.93 609.59 22.00 o 4 0 4 11735.16 11780.96 319.33 o 5 0 4 2588.76 2482.69 50.31 o -6 1 4 1352.05 1412.55 28.30 o -5 1 4 1971.06 1947.08 29.31 o -4 1 4 5525.78 5540.34 42.40 o -3 1 4 15945.66 15942.75 65.74 o -2 1 4 6081.03 6017.87 64.04 o -1 1 4 12587.04 12152.14 123.43 o 0 1 4 3200.89 2856.81 25.51 o 1 1 4 2757.86 2809.46 65.13 o 2 1 4 1811.70 1764.66 28.99 o 3 1 4 263.61 254.09 11.61 o 4 1 4 330.17 338.52 16.91 o 5 1 4 3.38 -9.23 9.40 o -5 2 4 381.21 376.20 22.30 o -4 2 4 20.80 14.83 13.80 o -3 2 4 46.23 51.68 5.11 o -2 2 4 453.75 467.90 73.83 o -1 2 4 467.54 429.20 43.42 o 0 2 4 1254.22 1203.26 56.26 o 1 2 4 688.52 604.87 50.59 o 2 2 4 681.74 664.17 22.91 o 3 2 4 7176.60 7093.61 94.05 o 4 2 4 2130.28 2054.47 42.33 o 5 2 4 7218.94 7214.53 110.84 o -5 3 4 408.24 367.29 28.47 o -4 3 4 11465.05 11760.94 307.85 o -3 3 4 7759.72 7574.95 199.11 o -2 3 4 29901.52 28890.71 1038.04 o -1 3 4 2530.94 2423.73 46.61 o 0 3 4 1541.74 1559.15 25.68 o 1 3 4 8100.14 8018.59 63.45 o 2 3 4 8.31 35.87 15.98 o 3 3 4 11.81 8.16 12.29 o 4 3 4 231.56 210.77 26.18 o 5 3 4 35.22 44.47 10.88 o -5 4 4 11.77 32.39 8.53 o -4 4 4 309.39 343.04 19.22 o -3 4 4 3.68 4.26 11.14 o -2 4 4 419.07 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