#------------------------------------------------------------------------------ #$Date: 2016-04-06 16:41:11 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181871 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/01/2020120.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2020120 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 4.7010 _cell_length_b 4.7010 _cell_length_c 7.5431 _exptl_crystal_F_000 232.00 _reflns_d_resolution_high 0.7021 _cod_data_source_file sk3600LaLi3Bi2sup2.hkl _cod_data_source_block LaLi3Bi2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' LaLi3Bi2 in P-3m1 after absorption correction and tidy' _shelx_refln_list_code 4 _shelx_f_calc_maximum 176.09 _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, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-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 0 555.60 638.08 9.09 o -1 2 0 31006.40 31339.60 242.17 o 0 2 0 442.94 482.48 11.64 o -1 3 0 371.29 392.86 8.55 o 0 3 0 18852.41 18527.50 172.99 o -2 4 0 15562.26 15271.82 149.56 o -1 4 0 262.85 302.17 11.39 o 0 4 0 225.90 218.49 15.78 o -2 5 0 197.27 202.43 13.47 o -1 5 0 9705.15 9629.02 93.15 o 0 5 0 155.84 166.65 17.93 o -3 6 0 7454.80 7570.88 133.10 o -2 6 0 140.08 147.93 15.89 o -1 6 0 126.47 127.81 15.46 o 0 0 1 1838.92 1995.13 31.58 o -1 1 1 4974.95 5115.65 54.91 o 0 1 1 29135.76 30242.05 315.99 o -2 2 1 20851.07 20383.06 170.22 o -1 2 1 1195.73 1255.44 12.24 o 0 2 1 3744.33 3702.19 41.76 o -3 3 1 735.50 765.49 18.61 o -2 3 1 3028.91 3028.36 25.60 o -1 3 1 16399.04 16178.88 98.18 o 0 3 1 735.50 741.69 20.71 o -4 4 1 1810.81 1829.89 35.93 o -3 4 1 11284.93 11319.78 85.84 o -2 4 1 621.82 660.24 14.32 o -1 4 1 2112.60 2057.55 27.31 o 0 4 1 9643.23 9397.70 118.68 o -5 5 1 6419.48 6402.72 114.52 o -4 5 1 411.06 413.17 18.18 o -3 5 1 1573.92 1533.39 31.35 o -2 5 1 8345.08 8186.61 88.84 o -1 5 1 411.06 415.47 18.53 o 0 5 1 1225.34 1197.56 39.23 o -5 6 1 978.16 967.35 36.20 o -4 6 1 5686.43 5905.20 80.05 o -3 6 1 322.80 353.82 21.49 o -2 6 1 1092.30 1063.70 35.23 o -1 6 1 5062.67 5179.58 103.07 o 0 0 2 8713.53 9087.55 128.92 o -1 1 2 14409.54 14456.18 116.18 o 0 1 2 11842.42 11858.47 101.03 o -2 2 2 8656.65 8874.57 138.61 o -1 2 2 6437.78 6494.84 42.08 o 0 2 2 10652.75 10477.70 101.00 o -3 3 2 4249.06 4233.92 53.56 o -2 3 2 8465.46 8408.35 55.46 o -1 3 2 6810.48 6817.83 47.82 o 0 3 2 4249.06 4121.02 60.58 o -4 4 2 5034.26 5058.39 67.85 o -3 4 2 4646.13 4678.21 43.48 o -2 4 2 3567.46 3592.77 36.91 o -1 4 2 5879.08 5782.30 54.02 o 0 4 2 3947.43 3972.32 61.86 o -5 5 2 2582.04 2616.27 61.66 o -4 5 2 2312.11 2432.82 35.97 o -3 5 2 4361.39 4304.84 55.79 o -2 5 2 3395.52 3343.99 45.93 o -1 5 2 2312.11 2277.79 36.24 o 0 5 2 3357.06 3276.57 60.95 o -5 6 2 2647.13 2874.35 112.51 o -4 6 2 2275.53 2304.32 50.00 o -3 6 2 1815.84 1829.36 42.46 o -2 6 2 2973.56 2942.52 54.50 o -1 6 2 2016.78 2076.38 60.39 o 0 0 3 3557.18 3697.86 62.88 o -1 1 3 19574.47 19682.09 166.44 o 0 1 3 5771.60 5919.76 54.61 o -2 2 3 4550.31 4429.56 46.89 o -1 2 3 2619.26 2673.70 22.11 o 0 2 3 15166.11 14914.13 131.93 o -3 3 3 1704.29 1843.04 31.59 o -2 3 3 12324.24 12228.19 77.13 o -1 3 3 3692.57 3684.80 32.17 o 0 3 3 1704.29 1691.63 35.63 o -4 4 3 7558.45 7471.17 96.11 o -3 4 3 2580.19 2580.38 30.99 o -2 4 3 1434.02 1419.99 22.71 o -1 4 3 8761.76 8733.19 74.26 o 0 4 3 2211.31 2239.67 56.13 o -5 5 3 1486.10 1584.36 56.20 o -4 5 3 921.51 958.63 32.07 o -3 5 3 6587.47 6571.24 81.08 o -2 5 3 1919.33 1879.32 35.19 o -1 5 3 921.51 973.31 28.36 o 0 5 3 5117.50 4900.74 89.86 o -5 6 3 4062.47 4028.31 218.23 o -4 6 3 1320.36 1346.72 46.46 o -3 6 3 713.75 764.50 31.01 o -2 6 3 4549.33 4671.76 68.68 o -1 6 3 1178.45 1485.44 159.08 o 0 0 4 24169.70 24697.01 340.24 o -1 1 4 883.06 896.22 18.02 o 0 1 4 29.59 74.86 16.16 o -2 2 4 28.63 50.71 5.91 o -1 2 4 19105.46 18770.10 113.32 o 0 2 4 746.13 776.45 18.43 o -3 3 4 13177.62 13071.64 139.15 o -2 3 4 637.03 663.68 14.17 o -1 3 4 26.73 48.02 6.07 o 0 3 4 13177.62 12898.98 139.76 o -4 4 4 430.51 481.53 28.96 o -3 4 4 23.27 40.33 7.13 o -2 4 4 11260.83 11037.95 92.19 o -1 4 4 484.57 489.23 17.51 o 0 4 4 21.91 19.21 10.78 o -5 5 4 18.52 39.23 18.13 o -4 5 4 7490.64 7499.88 94.11 o -3 5 4 385.71 402.60 21.91 o -2 5 4 20.70 16.58 8.98 o -1 5 4 7490.64 7408.72 83.08 o 0 5 4 314.44 298.10 26.26 o -4 6 4 17.50 69.62 23.35 o -3 6 4 5904.14 5870.26 151.58 o -2 6 4 285.15 339.17 93.03 o 0 0 5 246.18 259.18 25.46 o -1 1 5 2259.74 2267.75 34.64 o 0 1 5 17263.73 16762.21 158.08 o -2 2 5 14217.33 14099.83 133.48 o -1 2 5 201.76 222.11 8.89 o 0 2 5 1849.76 1817.59 33.41 o -3 3 5 148.78 167.65 16.39 o -2 3 5 1543.12 1565.59 23.36 o -1 3 5 11969.73 12003.92 98.09 o 0 3 5 148.78 142.61 14.92 o -4 4 5 983.88 964.14 45.34 o -3 4 5 8862.34 8741.61 79.82 o -2 4 5 129.94 145.50 11.98 o -1 4 5 1128.69 1123.60 27.76 o 0 4 5 7742.64 7672.22 110.95 o -5 5 5 5370.31 5488.09 230.58 o -4 5 5 89.36 91.44 13.74 o -3 5 5 865.42 862.16 33.57 o -2 5 5 6814.62 6959.57 88.86 o -1 5 5 89.36 101.80 13.83 o 0 5 5 682.45 611.34 67.76 o 0 0 6 3550.84 3529.05 94.27 o -1 1 6 8874.13 8764.33 97.03 o 0 1 6 3345.68 3251.12 51.80 o -2 2 6 2831.61 2743.25 44.98 o -1 2 6 3007.82 2977.88 34.19 o 0 2 6 7465.34 7283.36 93.05 o -3 3 6 2258.91 2274.83 48.20 o -2 3 6 6379.19 6406.30 61.48 o -1 3 6 2432.54 2374.16 40.31 o 0 3 6 2258.91 2285.60 55.29 o -4 4 6 4231.14 4305.80 89.02 o -3 4 6 1849.88 1855.48 35.30 o -2 4 6 1990.63 1979.23 35.48 o -1 4 6 4812.96 4877.95 60.87 o 0 4 6 1630.96 1590.33 52.58 o -4 5 6 1415.66 1365.82 51.52 o -3 5 6 3742.55 3784.65 67.96 o -2 5 6 1446.16 1441.67 40.36 o -1 5 6 1415.66 1431.31 57.27 o 0 0 7 2264.63 2262.93 149.93 o -1 1 7 7532.00 7673.60 104.44 o 0 1 7 2764.18 2748.44 54.53 o -2 2 7 2380.92 2280.22 48.68 o -1 2 7 1957.83 1922.51 30.88 o 0 2 7 6472.31 6228.67 88.70 o -3 3 7 1504.71 1465.37 51.17 o -2 3 7 5621.95 5531.35 62.00 o -1 3 7 2076.05 2068.16 35.22 o 0 3 7 1504.71 1426.71 55.82 o -4 4 7 3852.97 3963.41 97.12 o -3 4 7 1620.11 1554.20 39.51 o -2 4 7 1332.34 1383.26 41.79 o -1 4 7 4343.71 4367.42 67.75 o 0 4 7 1444.18 1437.38 57.61 o -3 5 7 3434.10 3327.01 113.90 o -2 5 7 1292.73 1353.49 75.45 o 0 0 8 9772.54 9776.57 233.60 o -1 1 8 880.41 857.64 45.45 o 0 1 8 86.40 107.51 15.98 o -2 2 8 73.80 81.50 17.03 o -1 2 8 8483.10 8589.68 92.17 o 0 2 8 770.68 777.09 40.76 o -3 3 8 6547.27 6881.08 139.26 o -2 3 8 680.68 724.21 30.75 o -1 3 8 63.56 58.99 12.34 o 0 3 8 6547.27 6814.13 204.23 o -3 4 8 48.38 53.51 15.81 o -2 4 8 5804.95 5924.45 91.75 o -1 4 8 540.78 568.91 40.56 o 0 0 9 13.51 15.35 26.17 o -1 1 9 470.83 505.85 32.73 o 0 1 9 7328.92 7304.83 119.23 o -2 2 9 6490.87 6667.83 113.99 o -1 2 9 12.63 40.23 11.39 o 0 2 9 419.99 461.05 34.84 o -3 3 9 11.12 17.21 44.93 o -2 3 9 376.48 378.35 25.49 o -1 3 9 5778.29 5802.63 80.84 o 0 3 9 11.12 73.92 38.90 o 0 0 10 1303.88 1246.95 98.12 o -1 1 10 4273.10 4406.65 104.29 o 0 1 10 894.32 907.29 49.93 o -2 2 10 792.58 843.00 113.11 o -1 2 10 1164.46 1148.48 78.34 o 0 2 10 3803.56 3698.40 233.85 o