#------------------------------------------------------------------------------ #$Date: 2016-04-06 19:48:23 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181916 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/15/2241539.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_2241539 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 12.9681 _cell_length_b 12.9681 _cell_length_c 12.9681 _exptl_crystal_F_000 340.50 _reflns_d_resolution_high 0.3731 _cod_data_source_file wm5261Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' LLZO-GA in I-43d' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1164.24 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_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' 'z, x, y' 'z+1/2, -x+1/2, -y' '-z+1/2, -x, y+1/2' '-z, x+1/2, -y+1/2' 'y, z, x' '-y, z+1/2, -x+1/2' 'y+1/2, -z+1/2, -x' '-y+1/2, -z, x+1/2' 'y+1/4, x+1/4, z+1/4' '-y+1/4, -x+3/4, z+3/4' 'y+3/4, -x+1/4, -z+3/4' '-y+3/4, x+3/4, -z+1/4' 'x+1/4, z+1/4, y+1/4' '-x+3/4, z+3/4, -y+1/4' '-x+1/4, -z+3/4, y+3/4' 'x+3/4, -z+1/4, -y+3/4' 'z+1/4, y+1/4, x+1/4' 'z+3/4, -y+1/4, -x+3/4' '-z+3/4, y+3/4, -x+1/4' '-z+1/4, -y+3/4, x+3/4' 'x+1/2, y+1/2, z+1/2' '-x+1, -y+1/2, z+1' '-x+1/2, y+1, -z+1' 'x+1, -y+1, -z+1/2' 'z+1/2, x+1/2, y+1/2' 'z+1, -x+1, -y+1/2' '-z+1, -x+1/2, y+1' '-z+1/2, x+1, -y+1' 'y+1/2, z+1/2, x+1/2' '-y+1/2, z+1, -x+1' 'y+1, -z+1, -x+1/2' '-y+1, -z+1/2, x+1' 'y+3/4, x+3/4, z+3/4' '-y+3/4, -x+5/4, z+5/4' 'y+5/4, -x+3/4, -z+5/4' '-y+5/4, x+5/4, -z+3/4' 'x+3/4, z+3/4, y+3/4' '-x+5/4, z+5/4, -y+3/4' '-x+3/4, -z+5/4, y+5/4' 'x+5/4, -z+3/4, -y+5/4' 'z+3/4, y+3/4, x+3/4' 'z+5/4, -y+3/4, -x+5/4' '-z+5/4, y+5/4, -x+3/4' '-z+3/4, -y+5/4, x+5/4' 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 1 2 111402.14 117242.50 425.49 o 1 1 2 111397.83 117962.86 458.99 o 0 2 2 20721.46 20109.00 109.07 o 0 1 3 217.57 211.46 7.12 o -1 2 3 97094.30 102118.31 295.54 o 1 2 3 97097.65 102469.26 259.52 o -2 3 3 27908.11 26631.40 138.96 o 2 3 3 27982.26 27043.39 104.05 o 0 0 4 759474.06 701307.56 3212.84 o -2 2 4 460619.56 449673.31 1800.87 o 0 2 4 496543.19 495291.94 1384.90 o 2 2 4 460583.06 449987.06 1719.67 o -1 3 4 10180.21 10958.89 38.69 o 1 3 4 10209.49 10964.37 38.03 o -4 4 4 370635.31 377662.56 2824.46 o 0 4 4 129.74 27.72 40.95 o 4 4 4 370584.31 384103.47 2189.55 o 0 1 5 243.17 244.94 13.70 o -1 2 5 177542.31 186602.95 481.26 o 1 2 5 177563.31 186522.05 531.34 o -2 3 5 126360.16 132725.70 336.22 o 0 3 5 471.00 295.12 10.93 o 2 3 5 126380.77 133613.72 291.06 o -3 4 5 852.51 718.31 13.87 o -1 4 5 790.80 780.33 11.08 o 1 4 5 784.61 788.18 10.43 o 3 4 5 841.53 755.32 13.58 o -2 5 5 114882.97 119588.50 425.55 o 2 5 5 114893.97 119661.98 357.03 o -1 1 6 205583.81 212000.22 676.76 o 1 1 6 205540.16 212748.75 700.70 o 0 2 6 33619.14 32559.10 90.82 o -3 3 6 68546.50 70352.64 231.30 o -1 3 6 49300.62 50852.22 140.71 o 1 3 6 49329.19 50869.92 132.30 o 3 3 6 68563.34 71043.75 222.92 o -2 4 6 530786.38 525076.19 1406.01 o 0 4 6 532683.50 526249.06 1240.09 o 2 4 6 530773.38 526966.00 1275.21 o -5 5 6 78542.98 76530.49 310.46 o -3 5 6 37672.36 39805.94 109.72 o -1 5 6 71657.87 74561.95 218.45 o 1 5 6 71667.31 74660.88 201.98 o 3 5 6 37684.57 40313.06 90.90 o 5 5 6 78547.95 77392.63 230.52 o -4 6 6 365042.06 375106.62 1486.53 o 0 6 6 1161.92 1530.91 22.21 o 4 6 6 365070.69 378603.41 1069.85 o 0 1 7 691.95 472.92 10.53 o -1 2 7 75695.66 78478.31 186.37 o 1 2 7 75659.43 78055.80 196.90 o -2 3 7 39689.45 41359.26 108.82 o 0 3 7 936.60 480.57 10.48 o 2 3 7 39677.46 41315.05 104.48 o -3 4 7 3924.78 3559.72 19.42 o -1 4 7 4796.08 4174.57 19.24 o 1 4 7 4761.18 4227.59 18.99 o 3 4 7 3878.88 3561.46 18.41 o -4 5 7 4856.66 4515.48 22.85 o -2 5 7 36752.29 38225.63 108.14 o 0 5 7 155.79 360.79 11.47 o 2 5 7 36773.09 38378.07 91.35 o 4 5 7 4837.16 4578.47 19.87 o -5 6 7 76206.23 75809.38 183.23 o -3 6 7 55237.53 56354.41 134.16 o -1 6 7 26029.42 27612.97 70.34 o 1 6 7 25976.46 27670.06 70.80 o 3 6 7 55240.78 56659.27 124.50 o 5 6 7 76233.24 76684.69 162.13 o -6 7 7 21919.82 22192.92 89.58 o -2 7 7 72165.83 71708.35 230.66 o 2 7 7 72196.48 72055.02 223.03 o 6 7 7 21950.96 22454.01 78.32 o 0 0 8 1355448.25 1281912.75 6641.82 o -2 2 8 15284.93 14389.67 73.85 o 0 2 8 2449.21 2982.89 21.22 o 2 2 8 15280.14 14380.61 66.26 o -1 3 8 297.55 455.19 11.59 o 1 3 8 293.22 463.31 12.58 o -4 4 8 10684.99 10754.63 56.29 o -2 4 8 270060.88 282150.66 642.45 o 0 4 8 416536.94 429395.41 970.24 o 2 4 8 270075.47 283796.47 695.94 o 4 4 8 10699.32 10746.51 47.71 o -3 5 8 8865.23 7606.89 28.93 o -1 5 8 5064.55 4722.08 22.21 o 1 5 8 5079.64 4863.12 24.76 o 3 5 8 8818.01 7636.69 26.44 o -6 6 8 685.22 1047.35 38.98 o -4 6 8 209882.20 219275.28 492.26 o -2 6 8 1408.39 1465.81 16.44 o 0 6 8 4.02 242.53 14.42 o 2 6 8 1400.09 1546.85 20.68 o 4 6 8 209894.06 221020.20 454.88 o 6 6 8 670.43 1046.26 34.23 o -5 7 8 346.39 572.72 12.49 o -3 7 8 923.67 677.55 13.03 o -1 7 8 1473.22 1526.26 16.67 o 1 7 8 1488.23 1529.37 15.29 o 3 7 8 908.43 731.25 14.27 o 5 7 8 341.67 567.11 11.07 o -8 8 8 700856.75 716589.81 3502.56 o -4 8 8 225889.83 232575.09 708.67 o 0 8 8 951394.06 944756.38 3131.99 o 4 8 8 225901.97 235618.78 649.93 o 8 8 8 700858.75 716365.12 3438.33 o 0 1 9 292.12 363.96 11.75 o -1 2 9 51251.83 52361.40 128.20 o 1 2 9 51274.79 52486.18 130.19 o -2 3 9 63217.58 64271.74 151.67 o 0 3 9 35.72 256.18 9.31 o 2 3 9 63220.00 64219.19 153.50 o -3 4 9 2194.81 2313.12 19.57 o -1 4 9 6042.84 5635.38 23.47 o 1 4 9 6081.05 5592.66 24.57 o 3 4 9 2204.54 2263.31 17.13 o -4 5 9 680.47 389.13 10.83 o -2 5 9 42465.78 43116.93 107.36 o 0 5 9 895.81 505.28 12.26 o 2 5 9 42479.28 43064.74 106.66 o 4 5 9 679.01 382.34 10.44 o -5 6 9 42536.10 42330.66 105.33 o -3 6 9 49046.42 48450.18 114.99 o -1 6 9 51393.95 52344.18 125.94 o 1 6 9 51390.11 52307.94 122.83 o 3 6 9 49025.30 48564.34 124.14 o 5 6 9 42534.86 42703.88 95.57 o -6 7 9 49529.90 48200.81 115.09 o -4 7 9 1233.18 1159.35 23.72 o -2 7 9 33692.45 34157.62 85.63 o 0 7 9 1030.63 763.30 15.29 o 2 7 9 33697.84 34356.97 83.48 o 4 7 9 1245.65 1115.40 19.05 o 6 7 9 49545.64 48742.44 108.16 o -7 8 9 1251.71 1205.48 17.29 o -5 8 9 1504.90 1285.16 18.65 o -3 8 9 118.38 279.14 11.64 o -1 8 9 3409.12 3112.67 21.08 o 1 8 9 3437.44 3155.66 20.24 o 3 8 9 120.24 276.28 10.92 o 5 8 9 1480.71 1322.49 14.88 o 7 8 9 1268.43 1245.05 16.44 o -6 9 9 13135.96 13503.32 65.76 o -2 9 9 54379.48 52717.29 177.92 o 2 9 9 54350.17 52676.11 175.05 o 6 9 9 13075.03 13500.38 59.71 o -1 1 10 29628.08 30825.55 113.68 o 1 1 10 29633.13 30861.62 114.38 o 0 2 10 2592.86 2221.49 19.85 o -3 3 10 49539.59 49006.98 171.77 o -1 3 10 40960.24 42333.55 101.58 o 1 3 10 40951.13 42285.41 109.09 o 3 3 10 49518.66 48586.60 174.60 o -2 4 10 307762.66 316538.41 743.43 o 0 4 10 270690.53 273808.22 613.90 o 2 4 10 307755.19 315655.75 762.54 o -5 5 10 36503.67 37455.22 136.60 o -3 5 10 44343.76 44176.44 104.60 o -1 5 10 55387.18 54845.73 131.49 o 1 5 10 55399.21 54641.88 145.72 o 3 5 10 44344.85 44365.37 107.14 o 5 5 10 36475.72 37708.52 127.72 o -4 6 10 236520.84 241835.19 506.34 o -2 6 10 2242.52 2113.11 22.12 o 0 6 10 92.58 304.13 16.32 o 2 6 10 2242.53 2120.08 24.30 o 4 6 10 236489.06 242144.67 520.30 o -7 7 10 22933.13 23610.26 97.44 o -5 7 10 26778.36 26280.41 70.75 o -3 7 10 35503.95 34802.77 87.61 o -1 7 10 45570.60 44753.72 108.52 o 1 7 10 45555.44 44811.66 105.82 o 3 7 10 35500.55 35047.58 85.42 o 5 7 10 26804.58 26446.67 69.50 o 7 7 10 22920.46 23546.26 87.96 o -6 8 10 3907.22 3539.12 27.94 o -4 8 10 191917.69 195343.62 416.13 o -2 8 10 3586.75 3499.45 26.27 o 0 8 10 501.86 855.92 20.33 o 2 8 10 3591.64 3464.83 28.46 o 4 8 10 191940.09 196105.23 410.82 o 6 8 10 3909.78 3659.08 23.91 o -9 9 10 28049.75 26983.61 93.05 o -7 9 10 29252.91 28672.76 77.64 o -5 9 10 21632.98 22080.90 64.57 o -3 9 10 25453.02 25793.93 72.68 o -1 9 10 30121.67 29526.49 77.99 o 1 9 10 30127.89 29651.73 75.10 o 3 9 10 25439.91 25776.58 68.23 o 5 9 10 21632.32 22189.41 60.27 o 7 9 10 29248.11 28858.36 76.54 o 9 9 10 28043.35 27032.48 87.94 o -8 10 10 857.66 928.72 27.34 o -4 10 10 194452.34 191769.86 583.37 o 0 10 10 17894.70 16548.35 78.05 o 4 10 10 194433.33 193321.28 574.08 o 8 10 10 857.45 935.68 24.04 o 0 1 11 643.51 417.58 11.60 o -1 2 11 58231.34 58118.19 137.38 o 1 2 11 58252.25 57707.75 142.10 o -2 3 11 38837.77 39192.86 95.58 o 0 3 11 280.93 289.87 11.73 o 2 3 11 38856.32 38972.41 99.54 o -3 4 11 470.21 529.06 15.24 o -1 4 11 2016.72 1945.18 17.22 o 1 4 11 1989.73 1924.58 18.49 o 3 4 11 477.39 436.26 12.53 o -4 5 11 860.67 631.75 13.35 o -2 5 11 38548.23 38329.52 97.24 o 0 5 11 929.35 662.48 13.93 o 2 5 11 38563.59 38284.32 98.15 o 4 5 11 850.07 654.87 14.12 o -5 6 11 35614.77 35355.54 94.16 o -3 6 11 65382.04 64137.18 151.23 o -1 6 11 34141.70 34188.12 85.98 o 1 6 11 34142.63 34268.88 86.53 o 3 6 11 65444.08 64047.26 149.60 o 5 6 11 35602.25 35441.48 89.62 o -6 7 11 27931.76 27869.91 79.09 o -4 7 11 3949.74 3212.86 23.91 o -2 7 11 42401.30 42037.30 107.00 o 0 7 11 1421.10 908.19 24.18 o 2 7 11 42400.83 42069.29 102.96 o 4 7 11 3885.61 3232.88 24.08 o 6 7 11 27920.43 27946.73 76.23 o -7 8 11 1396.63 1094.10 18.98 o -5 8 11 2530.75 2289.63 23.41 o -3 8 11 167.56 356.43 17.51 o -1 8 11 801.41 903.66 15.22 o 1 8 11 788.99 913.46 14.57 o 3 8 11 171.70 331.32 15.15 o 5 8 11 2564.41 2288.41 22.03 o 7 8 11 1366.08 1043.67 17.10 o -8 9 11 119.35 430.55 17.64 o -6 9 11 14487.00 14142.02 51.07 o -4 9 11 606.54 823.99 17.26 o -2 9 11 35526.99 34776.59 93.66 o 0 9 11 8.46 235.65 13.57 o 2 9 11 35542.23 34789.49 90.54 o 4 9 11 600.63 811.14 16.39 o 6 9 11 14536.99 14185.66 48.08 o 8 9 11 117.58 327.31 14.26 o -9 10 11 28036.63 27506.19 65.08 o -7 10 11 22980.50 22639.85 58.30 o -5 10 11 17903.37 17648.02 54.19 o -3 10 11 21571.73 21235.36 65.41 o -1 10 11 25703.43 25929.80 77.48 o 1 10 11 25685.27 25917.35 75.15 o 3 10 11 21578.25 21078.17 63.32 o 5 10 11 17892.71 17628.71 51.68 o 7 10 11 22979.68 22722.73 56.11 o 9 10 11 28055.22 27661.95 63.14 o -10 11 11 21151.25 20142.27 80.55 o -6 11 11 20123.45 20606.37 78.26 o -2 11 11 22922.12 22558.10 89.50 o 2 11 11 22924.50 22623.58 98.14 o 6 11 11 20096.40 20491.21 77.63 o 10 11 11 21115.75 20655.17 77.10 o 0 0 12 210300.97 210742.47 928.68 o -2 2 12 263802.72 271397.62 858.37 o 0 2 12 193054.25 198481.38 445.87 o 2 2 12 263799.97 269273.25 816.14 o -1 3 12 2690.81 2479.92 19.74 o 1 3 12 2704.77 2394.54 20.38 o -4 4 12 112786.62 117222.78 372.16 o -2 4 12 69.86 350.52 22.24 o 0 4 12 6212.93 5199.92 31.42 o 2 4 12 69.35 442.60 29.27 o 4 4 12 112792.72 116678.62 375.02 o -3 5 12 2131.41 2126.01 21.08 o -1 5 12 135.65 274.48 13.32 o 1 5 12 136.43 259.85 12.13 o 3 5 12 2149.51 2141.18 20.55 o -6 6 12 165393.78 167039.02 522.87 o -4 6 12 12.16 251.98 15.97 o -2 6 12 175365.31 182478.45 392.96 o 0 6 12 147257.17 153048.48 332.47 o 2 6 12 175380.16 182132.47 389.68 o 4 6 12 11.54 310.06 17.81 o 6 6 12 165402.30 166408.78 522.29 o -5 7 12 251.83 436.70 15.59 o -3 7 12 3246.84 3064.72 25.39 o -1 7 12 288.62 502.91 14.06 o 1 7 12 292.30 490.30 14.06 o 3 7 12 3282.67 3068.16 24.79 o 5 7 12 248.26 434.34 15.33 o -8 8 12 143145.53 140180.12 377.33 o -6 8 12 124337.19 126004.25 261.94 o -4 8 12 703.57 853.76 23.33 o -2 8 12 137252.25 141225.59 321.75 o 0 8 12 184414.06 181467.88 454.99 o 2 8 12 137248.09 141108.42 312.40 o 4 8 12 697.08 924.44 24.08 o 6 8 12 124326.41 126674.30 255.53 o 8 8 12 143155.78 140539.41 362.72 o -7 9 12 1560.93 1542.40 19.35 o -5 9 12 450.79 433.21 16.05 o -3 9 12 542.90 737.05 17.91 o -1 9 12 317.23 436.39 15.40 o 1 9 12 324.93 444.59 15.59 o 3 9 12 539.60 692.36 16.70 o 5 9 12 438.64 462.92 15.33 o 7 9 12 1579.49 1525.22 18.21 o -10 10 12 80196.42 78645.88 219.42 o -8 10 12 81324.72 81403.88 155.68 o -6 10 12 133196.59 131769.83 242.88 o -4 10 12 120.40 373.64 19.44 o -2 10 12 152267.09 151981.80 336.83 o 0 10 12 111998.90 114283.54 284.61 o 2 10 12 152268.25 152189.92 341.55 o 4 10 12 120.81 420.76 21.29 o 6 10 12 133197.11 131957.12 239.45 o 8 10 12 81309.00 81981.14 154.55 o 10 10 12 80209.94 79613.48 218.51 o -9 11 12 257.29 396.58 17.65 o -7 11 12 842.27 783.33 17.34 o -5 11 12 507.27 608.59 17.51 o -3 11 12 151.68 240.16 15.83 o -1 11 12 2554.67 2726.49 24.45 o 1 11 12 2526.48 2631.18 23.33 o 3 11 12 150.23 276.16 14.80 o 5 11 12 510.39 525.67 15.77 o 7 11 12 848.31 767.86 16.50 o 9 11 12 261.06 345.89 16.44 o -12 12 12 37663.48 39474.74 230.42 o -8 12 12 2620.89 2613.46 35.16 o -4 12 12 81344.33 83121.09 230.07 o 0 12 12 2719.28 2544.03 35.11 o 4 12 12 81330.16 83307.87 222.68 o 8 12 12 2621.84 2530.23 32.30 o 12 12 12 37653.25 38775.51 339.39 o 0 1 13 361.44 367.56 13.81 o -1 2 13 21334.97 21725.02 61.33 o 1 2 13 21288.51 21701.56 62.00 o -2 3 13 42589.39 42022.23 103.20 o 0 3 13 569.44 450.47 13.32 o 2 3 13 42594.38 41609.93 106.94 o -3 4 13 1328.39 1245.68 23.39 o -1 4 13 503.94 500.55 13.62 o 1 4 13 509.44 425.27 12.95 o 3 4 13 1302.80 1176.32 21.61 o -4 5 13 565.04 628.39 15.77 o -2 5 13 16839.12 17397.06 56.38 o 0 5 13 175.99 293.93 12.79 o 2 5 13 16780.25 17304.44 56.44 o 4 5 13 574.12 605.74 16.33 o -5 6 13 26331.06 25604.58 75.86 o -3 6 13 19221.73 19030.52 60.55 o -1 6 13 24225.27 24117.02 68.77 o 1 6 13 24231.37 24168.37 70.28 o 3 6 13 19204.57 18880.28 59.46 o 5 6 13 26341.79 25519.92 74.40 o -6 7 13 26835.17 26369.02 69.95 o -4 7 13 757.20 992.95 18.57 o -2 7 13 32079.74 31051.60 87.10 o 0 7 13 33.33 259.35 14.17 o 2 7 13 32074.29 31035.07 83.91 o 4 7 13 761.19 982.43 18.38 o 6 7 13 26839.77 26450.79 67.52 o -7 8 13 759.75 856.65 17.39 o -5 8 13 324.81 443.05 15.65 o -3 8 13 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