#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:02:59 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181902 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/02/2240231.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_2240231
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.2530
_cell_length_b                   10.2530
_cell_length_c                   8.4250
_exptl_crystal_F_000             352.00
_reflns_d_resolution_high        0.7668
_cod_data_source_file            wm5091LiI_3THF_trigonalsup2.hkl
_cod_data_source_block           LiI_3THF_trigonal
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 1 '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            139.12
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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
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0 2 0 9166.91 11166.97 279.69 o
-2 3 0 88.85 63.38 42.46 o
-1 3 0 1127.77 1278.01 42.28 o
0 3 0 6608.33 6918.57 176.70 o
-3 4 0 793.19 779.40 42.67 o
-2 4 0 4807.90 4942.69 55.94 o
-1 4 0 4603.26 4878.92 102.72 o
0 4 0 28.97 66.11 42.63 o
-4 5 0 6049.33 5897.38 89.18 o
-3 5 0 1551.25 1416.29 41.70 o
-2 5 0 1429.07 1380.02 39.37 o
-1 5 0 3603.17 3419.33 62.14 o
0 5 0 623.82 589.34 35.84 o
-5 6 0 702.34 667.97 26.03 o
-4 6 0 1905.19 1828.05 44.25 o
-3 6 0 5427.38 5350.29 80.29 o
-2 6 0 440.02 410.54 27.30 o
-1 6 0 1427.37 1387.26 31.09 o
0 6 0 1618.13 1464.50 33.63 o
-6 7 0 248.06 223.04 26.85 o
-5 7 0 2850.36 2682.62 36.09 o
-4 7 0 1951.88 1820.97 30.83 o
-3 7 0 1295.89 1241.95 29.93 o
-2 7 0 3266.08 3187.52 71.92 o
-1 7 0 271.93 265.42 28.35 o
0 7 0 833.73 781.66 30.73 o
-7 8 0 888.40 849.42 24.17 o
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-5 8 0 228.10 216.45 26.10 o
-4 8 0 2845.17 2712.10 61.08 o
-3 8 0 914.22 858.02 29.01 o
-2 8 0 460.23 400.95 24.04 o
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0 8 0 178.55 200.30 28.20 o
-8 9 0 119.43 129.81 21.85 o
-7 9 0 321.42 321.85 23.07 o
-6 9 0 972.62 929.07 26.54 o
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-4 9 0 51.91 50.27 23.90 o
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-1 9 0 198.05 199.98 23.83 o
0 9 0 1280.26 1267.78 33.42 o
-9 10 0 84.90 114.71 22.12 o
-8 10 0 1068.41 1050.40 25.64 o
-7 10 0 266.21 272.30 23.79 o
-6 10 0 635.52 628.29 25.71 o
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-4 10 0 192.90 227.85 28.15 o
-3 10 0 143.06 140.31 24.93 o
-2 10 0 426.12 396.44 26.95 o
-1 10 0 190.17 203.88 23.68 o
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-6 11 0 127.92 160.86 20.62 o
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-3 11 0 226.88 228.42 25.57 o
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-1 11 0 473.95 513.99 31.33 o
0 11 0 111.48 120.89 22.70 o
-11 12 0 65.99 65.24 29.43 o
-10 12 0 105.56 105.86 24.87 o
-9 12 0 274.17 290.72 25.94 o
-8 12 0 23.90 37.47 21.01 o
-7 12 0 19.86 48.07 20.40 o
-6 12 0 281.99 327.88 26.62 o
-5 12 0 65.20 64.63 24.37 o
-4 12 0 11.19 13.37 27.15 o
-3 12 0 232.83 265.42 33.34 o
-2 12 0 69.17 79.07 27.37 o
-1 12 0 119.20 88.28 60.76 o
-9 13 0 5.61 12.60 30.22 o
-8 13 0 366.63 381.14 23.44 o
-7 13 0 127.93 128.20 23.07 o
-6 13 0 213.64 227.54 24.03 o
-5 13 0 428.39 435.36 26.72 o
-4 13 0 31.96 5.19 61.28 o
0 0 1 327.36 674.55 132.68 o
-1 1 1 1284.66 1995.38 82.40 o
0 1 1 1078.46 1675.14 64.55 o
1 1 1 361.61 441.71 69.34 o
-3 2 1 2019.24 2121.31 51.53 o
-2 2 1 16597.75 20102.38 216.69 o
-1 2 1 2348.99 2891.72 63.65 o
0 2 1 12854.81 15061.33 366.60 o
1 2 1 14673.80 15693.41 208.14 o
2 2 1 923.08 982.77 40.06 o
-5 3 1 3176.86 3148.49 47.73 o
-4 3 1 5564.52 5544.00 122.44 o
-3 3 1 1261.32 1374.42 42.97 o
-2 3 1 5187.88 5691.65 152.58 o
-1 3 1 2723.21 2932.01 69.90 o
0 3 1 669.68 685.53 35.92 o
1 3 1 5325.41 5437.22 63.46 o
2 3 1 1688.95 1519.82 41.09 o
3 3 1 10.43 38.41 28.27 o
-7 4 1 1002.00 943.62 27.34 o
-6 4 1 1533.11 1479.01 34.31 o
-5 4 1 84.41 76.43 39.89 o
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-2 4 1 584.50 655.89 35.46 o
-1 4 1 5933.59 6257.30 173.68 o
0 4 1 5212.52 5163.87 89.38 o
1 4 1 231.35 219.09 32.70 o
2 4 1 1126.69 1023.48 34.09 o
3 4 1 949.66 914.19 30.20 o
4 4 1 29.95 44.67 24.65 o
-9 5 1 760.65 713.68 26.60 o
-8 5 1 1213.71 1217.06 30.89 o
-7 5 1 28.38 28.69 24.75 o
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-4 5 1 324.72 300.26 36.25 o
-3 5 1 1965.89 1861.18 36.34 o
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-1 5 1 13.99 30.59 31.38 o
0 5 1 2643.44 2575.60 64.31 o
1 5 1 3458.04 3358.94 87.09 o
2 5 1 17.49 2.35 24.00 o
3 5 1 1293.38 1259.11 32.44 o
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5 5 1 12.64 22.44 23.52 o
-11 6 1 372.61 396.19 28.30 o
-10 6 1 517.21 529.68 25.48 o
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-8 6 1 426.74 421.62 27.60 o
-7 6 1 1511.33 1368.82 39.16 o
-6 6 1 2.86 -10.73 30.25 o
-5 6 1 1109.55 1012.01 28.45 o
-4 6 1 1380.29 1298.58 44.25 o
-3 6 1 14.03 21.34 24.57 o
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-1 6 1 2535.35 2372.49 58.14 o
0 6 1 421.84 456.05 27.19 o
1 6 1 495.18 475.84 24.43 o
2 6 1 1658.35 1622.45 37.44 o
3 6 1 88.28 96.23 20.79 o
4 6 1 973.62 977.49 31.53 o
5 6 1 766.80 783.50 24.70 o
6 6 1 4.20 31.47 23.87 o
-13 7 1 224.33 231.09 27.33 o
-12 7 1 243.78 258.20 26.10 o
-11 7 1 11.86 35.93 24.51 o
-10 7 1 448.75 409.59 27.92 o
-9 7 1 997.39 940.50 34.11 o
-8 7 1 0.37 -7.34 30.18 o
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-5 7 1 63.98 55.03 25.47 o
-4 7 1 1361.16 1310.17 28.47 o
-3 7 1 855.58 778.28 25.97 o
-2 7 1 270.28 240.58 24.42 o
-1 7 1 1521.40 1472.10 29.84 o
0 7 1 1391.64 1300.60 27.78 o
1 7 1 22.13 38.81 20.75 o
2 7 1 684.45 674.52 25.77 o
3 7 1 294.13 328.06 24.17 o
4 7 1 40.79 62.56 21.89 o
5 7 1 157.16 160.17 22.37 o
6 7 1 184.64 193.94 23.39 o
-13 8 1 4.26 7.33 34.87 o
-12 8 1 114.99 110.84 28.75 o
-11 8 1 463.38 481.55 25.92 o
-10 8 1 145.42 163.95 30.45 o
-9 8 1 353.97 361.13 30.80 o
-8 8 1 1060.16 1087.39 29.51 o
-7 8 1 79.58 82.79 26.48 o
-6 8 1 2384.29 2249.63 68.80 o
-5 8 1 790.73 780.06 27.47 o
-4 8 1 125.82 124.35 25.87 o
-3 8 1 1272.20 1258.91 29.90 o
-2 8 1 958.10 906.27 28.31 o
-1 8 1 84.54 65.30 23.00 o
0 8 1 545.02 528.39 24.38 o
1 8 1 955.20 967.44 23.92 o
2 8 1 0.98 22.75 22.03 o
3 8 1 330.04 349.87 21.31 o
4 8 1 289.85 307.73 21.30 o
5 8 1 24.51 31.57 21.11 o
-12 9 1 71.84 96.36 26.73 o
-11 9 1 280.53 310.39 29.90 o
-10 9 1 385.79 392.94 35.90 o
-9 9 1 13.77 15.27 30.01 o
-8 9 1 536.36 541.44 26.11 o
-7 9 1 1404.40 1369.15 32.76 o
-6 9 1 194.50 191.39 28.81 o
-5 9 1 431.74 408.03 23.07 o
-4 9 1 1720.12 1640.12 42.30 o
-3 9 1 4.07 9.92 20.20 o
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-1 9 1 780.95 738.71 24.90 o
0 9 1 19.03 33.08 19.85 o
1 9 1 317.00 351.37 24.10 o
2 9 1 365.26 404.88 24.03 o
3 9 1 0.38 2.35 21.56 o
-12 10 1 370.66 408.90 27.94 o
-11 10 1 30.83 32.65 32.93 o
-10 10 1 288.91 299.86 24.78 o
-9 10 1 199.82 230.83 26.46 o
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-7 10 1 34.39 64.90 23.67 o
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-5 10 1 135.74 113.11 24.50 o
-4 10 1 766.84 802.25 30.59 o
-3 10 1 1009.88 978.30 29.20 o
-2 10 1 1.81 24.07 20.12 o
-1 10 1 472.65 493.55 27.31 o
0 10 1 211.33 226.94 23.80 o
1 10 1 1.48 6.01 20.68 o
2 10 1 48.34 58.28 23.74 o
-11 11 1 183.99 208.24 30.70 o
-10 11 1 0.10 -16.44 27.93 o
-9 11 1 353.58 352.79 23.22 o
-8 11 1 279.24 280.76 24.54 o
-7 11 1 50.91 56.61 19.97 o
-6 11 1 372.04 383.91 23.36 o
-5 11 1 343.03 384.75 27.17 o
-4 11 1 18.84 17.75 29.68 o
-3 11 1 422.21 467.95 25.56 o
-2 11 1 404.86 404.19 24.41 o
-1 11 1 5.67 15.81 20.76 o
0 11 1 169.58 184.68 25.21 o
-10 12 1 192.08 213.42 25.59 o
-9 12 1 48.74 58.55 26.54 o
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-7 12 1 380.90 396.67 21.65 o
-6 12 1 23.02 28.99 26.42 o
-5 12 1 267.06 291.77 27.09 o
-4 12 1 336.88 343.26 28.41 o
-3 12 1 1.97 8.24 21.98 o
-2 12 1 165.27 188.32 23.17 o
-8 13 1 4.21 -3.21 24.38 o
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-6 13 1 150.60 155.15 27.27 o
-5 13 1 8.84 -5.33 26.72 o
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1 2 2 507.08 568.22 49.53 o
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-3 5 2 2375.93 2374.59 51.72 o
-2 5 2 92.45 120.45 29.68 o
-1 5 2 3269.94 3256.30 72.59 o
0 5 2 516.78 436.42 26.33 o
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3 5 2 845.00 821.35 27.01 o
4 5 2 0.64 16.12 23.48 o
5 5 2 356.73 379.40 25.34 o
-11 6 2 733.45 752.84 39.57 o
-10 6 2 12.37 -19.51 27.66 o
-9 6 2 1732.14 1706.88 37.59 o
-8 6 2 1176.53 1109.17 33.35 o
-7 6 2 3.04 13.79 34.38 o
-6 6 2 1046.78 992.64 31.97 o
-5 6 2 713.67 689.57 30.33 o
-4 6 2 108.48 105.51 26.39 o
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1 6 2 1807.47 1708.45 46.24 o
2 6 2 173.00 153.63 22.78 o
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-13 7 2 260.67 253.33 28.17 o
-12 7 2 0.67 20.21 22.93 o
-11 7 2 529.40 559.91 25.48 o
-10 7 2 333.31 384.02 49.51 o
-9 7 2 204.89 206.53 29.38 o
-8 7 2 998.14 925.13 62.67 o
-7 7 2 710.28 663.82 33.48 o
-6 7 2 44.77 52.71 34.90 o
-5 7 2 1304.70 1276.32 32.72 o
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-3 7 2 16.15 24.46 20.13 o
-2 7 2 1803.48 1718.46 37.03 o
-1 7 2 1189.37 1130.36 32.00 o
0 7 2 12.66 14.48 23.88 o
1 7 2 2186.96 2177.07 46.84 o
2 7 2 757.45 782.85 24.08 o
3 7 2 33.65 46.90 21.55 o
4 7 2 494.51 520.37 21.36 o
5 7 2 164.31 165.11 22.94 o
6 7 2 1.06 -0.05 27.42 o
-12 8 2 144.00 164.40 26.48 o
-11 8 2 73.53 103.69 26.13 o
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-6 8 2 219.34 250.60 29.40 o
-5 8 2 18.40 21.91 25.02 o
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1 8 2 1.97 -5.83 22.04 o
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-1 9 2 81.31 100.76 23.23 o
0 9 2 512.13 517.38 24.29 o
1 9 2 296.38 313.24 19.84 o
2 9 2 3.00 13.16 20.94 o
3 9 2 255.38 272.22 23.63 o
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-11 10 2 131.68 141.47 29.81 o
-10 10 2 618.86 692.04 35.57 o
-9 10 2 26.33 33.47 29.48 o
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-3 10 2 85.73 88.43 21.22 o
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0 10 2 6.90 26.74 22.65 o
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-11 11 2 1.05 31.00 30.26 o
-10 11 2 184.81 174.80 27.08 o
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-8 11 2 17.38 32.61 23.51 o
-7 11 2 547.90 564.76 24.81 o
-6 11 2 307.30 340.52 22.40 o
-5 11 2 0.66 -0.77 22.05 o
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0 11 2 271.60 272.88 20.65 o
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-9 12 2 219.91 224.67 30.35 o
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