#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:10:00 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181908 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/08/2240822.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_2240822
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.7530
_cell_length_b                   9.7530
_cell_length_c                   19.3977
_exptl_crystal_F_000             2768.65
_reflns_d_resolution_high        0.6197
_cod_data_source_file            wm5164Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
'                                   import in P 63/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1441.42
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, x, z+1/2'
'y, -x+y, z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, -x, -z-1/2'
'-y, x-y, -z-1/2'
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 12278.52 10275.59 290.93 o
-1 2 0 30111.75 29819.37 810.60 o
0 2 0 41.12 57.04 15.90 o
-2 3 0 164.81 202.61 42.07 o
-1 3 0 5613.06 5165.90 162.76 o
0 3 0 411923.91 396489.03 9694.66 o
-3 4 0 65319.95 60969.20 1516.72 o
-2 4 0 183748.33 171457.31 2477.63 o
-1 4 0 1929.71 1575.51 67.41 o
0 4 0 1878.51 1687.96 142.24 o
-4 5 0 2519.18 2056.63 132.18 o
-3 5 0 19806.77 18464.11 300.44 o
-2 5 0 7220.62 6733.34 171.77 o
-1 5 0 36331.19 36616.68 608.39 o
0 5 0 14679.86 13145.62 1033.16 o
-5 6 0 1099.92 1104.46 198.26 o
-4 6 0 141.49 352.56 164.07 o
-3 6 0 110506.77 108970.27 1529.87 o
-2 6 0 7199.49 7602.37 316.79 o
-1 6 0 4171.75 3832.09 170.46 o
0 6 0 1022581.75 988804.69 14612.45 o
-6 7 0 4335.86 4373.27 137.46 o
-5 7 0 18127.09 17352.68 418.01 o
-4 7 0 498.60 769.50 277.46 o
-3 7 0 5331.76 5261.02 184.60 o
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-1 7 0 10437.88 9947.05 391.37 o
0 7 0 1685.37 1691.99 301.81 o
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-6 8 0 8065.53 8842.79 262.52 o
-5 8 0 12611.59 13866.07 462.97 o
-4 8 0 53868.29 51992.08 1551.13 o
-3 8 0 218.13 -35.18 146.39 o
-2 8 0 2619.71 2765.88 112.42 o
-1 8 0 207502.98 203167.42 5705.42 o
0 8 0 308.92 44.35 196.66 o
-8 9 0 193.17 221.02 115.18 o
-7 9 0 868.40 740.75 174.87 o
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-2 9 0 6704.59 6678.49 211.45 o
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0 9 0 7593.22 7741.48 330.81 o
-9 10 0 23579.54 25553.15 1308.27 o
-8 10 0 16506.88 17573.09 1004.08 o
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-6 10 0 104.92 176.48 200.35 o
-5 10 0 39262.17 39474.86 932.59 o
-4 10 0 5647.51 4714.17 346.82 o
-3 10 0 4395.04 4043.53 367.52 o
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-1 10 0 59.99 139.86 244.51 o
0 10 0 6798.27 6646.15 329.17 o
-10 11 0 17669.05 17494.66 570.05 o
-9 11 0 62.25 14.88 542.68 o
-8 11 0 1609.78 1895.81 314.99 o
-7 11 0 22813.76 23676.04 610.40 o
-6 11 0 121.47 10.39 204.34 o
-5 11 0 1667.97 1761.72 331.43 o
-4 11 0 7559.95 6550.36 691.35 o
-3 11 0 5696.96 5441.11 598.34 o
-2 11 0 31.89 621.47 389.64 o
-1 11 0 36567.13 38135.19 1651.04 o
0 11 0 155.13 -133.03 318.62 o
-11 12 0 1477.55 1644.92 379.33 o
-10 12 0 54.44 174.00 441.41 o
-9 12 0 260.16 269.36 325.72 o
-8 12 0 398.03 261.51 285.98 o
-7 12 0 658.91 805.86 188.15 o
-6 12 0 63458.53 66753.54 1467.20 o
-5 12 0 25.65 52.75 397.57 o
-4 12 0 16047.17 15289.30 1166.72 o
-3 12 0 11868.92 12417.23 607.36 o
-2 12 0 144.64 546.28 433.05 o
-1 12 0 1144.02 1233.70 445.05 o
0 12 0 23949.45 24973.15 1188.74 o
-12 13 0 36.24 285.33 501.75 o
-11 13 0 18746.39 18842.78 680.67 o
-10 13 0 13.01 -385.12 385.12 o
-9 13 0 1355.83 1023.85 431.71 o
-8 13 0 352422.41 371401.91 6584.77 o
-7 13 0 1023.54 486.73 319.54 o
-6 13 0 121.17 526.67 484.49 o
-5 13 0 16953.74 17119.18 827.92 o
-4 13 0 160.80 -391.33 453.25 o
-3 13 0 21.61 -523.63 523.63 o
-2 13 0 106462.09 110127.05 4080.13 o
-1 13 0 2028.79 1598.32 515.01 o
0 13 0 395.70 982.83 573.73 o
-13 14 0 2373.84 3947.54 1303.72 o
-12 14 0 13665.82 13638.89 1040.17 o
-11 14 0 57.32 -494.93 494.93 o
-10 14 0 12710.37 12960.71 971.35 o
-9 14 0 706.39 522.34 514.90 o
-8 14 0 580.01 781.05 517.46 o
-7 14 0 8602.92 7818.79 604.96 o
-6 14 0 1716.98 1515.79 368.39 o
-5 14 0 1089.86 1124.21 510.94 o
-4 14 0 57.25 -546.25 547.12 o
-3 14 0 204.22 90.47 570.05 o
-2 14 0 4017.43 4489.86 704.83 o
-1 14 0 111467.30 117544.32 2745.90 o
-11 15 0 304.43 57.92 682.75 o
-10 15 0 240.45 -58.68 695.41 o
-9 15 0 3954.50 4944.80 1015.23 o
-8 15 0 10.54 321.61 529.49 o
-7 15 0 192.13 218.47 574.78 o
-6 15 0 27781.69 29811.23 1652.05 o
-5 15 0 2842.74 2440.06 585.69 o
-4 15 0 2225.15 2558.39 585.17 o
0 1 1 94397.70 79493.93 2628.47 o
-1 2 1 645.76 678.84 24.30 o
0 2 1 2819.94 2969.73 73.26 o
-2 3 1 28652.29 28137.15 388.14 o
-1 3 1 36714.42 34398.24 454.37 o
0 3 1 939.64 837.57 51.64 o
-3 4 1 218316.05 203539.11 2647.76 o
-2 4 1 9287.30 8860.94 145.91 o
-1 4 1 12488.74 11148.71 208.10 o
0 4 1 103.82 82.45 40.32 o
-4 5 1 607.65 649.47 63.34 o
-3 5 1 4191.86 4217.56 101.80 o
-2 5 1 84892.41 83178.22 1142.78 o
-1 5 1 345.17 366.81 43.73 o
0 5 1 4535.99 3905.86 104.43 o
-5 6 1 2186.39 2200.11 90.45 o
-4 6 1 994.78 1081.09 114.73 o
-3 6 1 364.57 359.40 82.10 o
-2 6 1 26592.31 27305.97 509.16 o
-1 6 1 66128.61 64312.59 747.22 o
0 6 1 112.54 524.50 189.01 o
-6 7 1 1866.52 1835.32 105.03 o
-5 7 1 176.62 314.98 90.38 o
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-3 7 1 1734.88 1735.42 118.68 o
-2 7 1 438.18 612.19 66.74 o
-1 7 1 201142.70 198519.05 3168.08 o
0 7 1 55585.82 52974.48 759.88 o
-7 8 1 109.90 111.14 64.24 o
-6 8 1 19285.62 19793.22 341.70 o
-5 8 1 4596.98 4443.04 172.84 o
-4 8 1 4776.75 5141.77 187.18 o
-3 8 1 7427.02 7559.26 231.16 o
-2 8 1 6349.89 6189.46 168.37 o
-1 8 1 6.78 78.50 141.98 o
0 8 1 80.05 166.05 149.63 o
-8 9 1 3809.69 4478.63 219.31 o
-7 9 1 2263.39 2495.32 162.80 o
-6 9 1 2740.78 2593.63 176.76 o
-5 9 1 98814.00 102126.72 1156.92 o
-4 9 1 417.00 379.82 124.21 o
-3 9 1 1057.52 772.84 116.34 o
-2 9 1 18389.90 18677.11 314.72 o
-1 9 1 7311.18 7616.81 346.09 o
0 9 1 396.27 302.33 173.94 o
-9 10 1 85422.94 87704.03 1848.90 o
-8 10 1 2848.61 2443.33 242.95 o
-7 10 1 5005.22 4892.06 176.93 o
-6 10 1 6183.06 5799.68 179.52 o
-5 10 1 17.72 141.31 137.06 o
-4 10 1 12992.81 12249.78 418.79 o
-3 10 1 25953.82 26717.40 463.02 o
-2 10 1 1296.88 1402.59 181.44 o
-1 10 1 3115.68 3470.27 191.62 o
0 10 1 2498.90 2581.83 167.20 o
-10 11 1 95.40 276.06 273.83 o
-9 11 1 9050.88 9239.05 393.99 o
-8 11 1 752.39 263.86 204.77 o
-7 11 1 350.43 557.13 156.16 o
-6 11 1 145.86 133.10 148.07 o
-5 11 1 477.92 923.95 234.46 o
-4 11 1 1012.11 1609.03 245.62 o
-3 11 1 2649.18 2932.73 362.92 o
-2 11 1 1575.98 1443.56 383.89 o
-1 11 1 427.35 202.65 214.73 o
0 11 1 1478.02 920.69 201.38 o
-11 12 1 365.90 235.26 238.64 o
-10 12 1 105.28 646.02 252.10 o
-9 12 1 1.83 -102.51 202.81 o
-8 12 1 3045.41 2915.19 256.98 o
-7 12 1 38286.91 39363.23 642.28 o
-6 12 1 96.00 -181.64 210.84 o
-5 12 1 3008.94 3882.50 382.05 o
-4 12 1 30085.98 29037.60 725.20 o
-3 12 1 474.44 771.66 286.98 o
-2 12 1 2493.77 2627.66 320.08 o
-1 12 1 522.94 -264.46 264.46 o
0 12 1 712.12 1149.15 344.55 o
-12 13 1 63.99 318.13 345.75 o
-11 13 1 185.25 718.53 265.05 o
-10 13 1 59.64 17.88 273.10 o
-9 13 1 52.33 138.30 338.06 o
-8 13 1 116.34 650.39 434.39 o
-7 13 1 41145.86 41036.51 882.41 o
-6 13 1 1950.83 1964.43 273.43 o
-5 13 1 334.65 421.80 322.83 o
-4 13 1 2553.22 2490.03 362.26 o
-3 13 1 534.40 555.15 355.88 o
-2 13 1 399.86 362.93 355.87 o
-1 13 1 38043.17 39274.36 845.17 o
0 13 1 6920.17 6330.97 894.17 o
-13 14 1 550.14 608.28 642.31 o
-12 14 1 25210.22 26397.91 1097.81 o
-11 14 1 1438.06 850.04 321.85 o
-10 14 1 327.63 679.14 471.06 o
-9 14 1 211.95 292.18 343.79 o
-8 14 1 9523.50 9711.78 615.62 o
-7 14 1 87.40 606.86 325.94 o
-6 14 1 3062.74 3015.28 334.13 o
-5 14 1 453.51 3.55 370.44 o
-4 14 1 1438.44 2110.45 395.82 o
-3 14 1 917.67 268.04 399.15 o
-2 14 1 26482.49 25118.87 703.16 o
-1 14 1 1.69 443.88 371.32 o
-11 15 1 2663.39 2103.61 484.94 o
-10 15 1 1111.43 1227.31 437.52 o
-9 15 1 737.22 626.79 425.06 o
-8 15 1 374.38 159.95 409.94 o
-7 15 1 1841.97 1689.76 422.18 o
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-5 15 1 17866.72 16441.65 558.63 o
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0 1 2 47685.59 45749.99 610.14 o
-1 2 2 2831.42 2327.24 40.32 o
0 2 2 21951.02 20335.44 260.38 o
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0 3 2 4600.05 3857.36 70.51 o
-3 4 2 164178.56 152051.34 2176.38 o
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0 4 2 399.83 231.87 33.66 o
-4 5 2 297.45 276.51 35.92 o
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0 5 2 3122.00 2698.63 90.89 o
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0 6 2 1726.61 1505.71 89.24 o
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-4 8 2 718.65 504.86 64.12 o
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-2 8 2 118.53 182.44 91.06 o
-1 8 2 5104.17 4584.07 245.07 o
0 8 2 7275.73 6521.57 250.66 o
-8 9 2 12320.14 12581.57 266.19 o
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-6 9 2 157.35 163.94 81.48 o
-5 9 2 101662.34 103175.70 1370.41 o
-4 9 2 707.35 738.68 140.94 o
-3 9 2 49.57 382.21 116.93 o
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-1 9 2 5858.56 5620.84 244.04 o
0 9 2 20.12 10.37 176.21 o
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-8 10 2 1749.62 1874.27 176.77 o
-7 10 2 3284.81 3119.28 169.04 o
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-5 10 2 2769.08 2739.71 130.33 o
-4 10 2 3685.85 3397.12 205.65 o
-3 10 2 43010.99 43721.64 640.66 o
-2 10 2 1314.05 1311.17 190.69 o
-1 10 2 6952.67 6628.17 213.02 o
0 10 2 1332.60 1430.70 167.19 o
-10 11 2 57.59 501.14 188.30 o
-9 11 2 10928.97 11724.70 480.31 o
-8 11 2 9016.93 8783.36 311.46 o
-7 11 2 1055.24 804.19 119.98 o
-6 11 2 538.94 685.79 170.50 o
-5 11 2 581.70 220.31 235.00 o
-4 11 2 242.84 285.64 228.34 o
-3 11 2 13726.32 14136.68 418.07 o
-2 11 2 6287.05 5607.02 280.54 o
-1 11 2 1870.70 1795.82 227.99 o
0 11 2 1811.19 1887.40 241.55 o
-11 12 2 413.18 374.97 255.70 o
-10 12 2 788.22 712.46 251.03 o
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-8 12 2 350.63 278.95 179.48 o
-7 12 2 30504.30 30502.24 648.33 o
-6 12 2 244.50 159.14 200.84 o
-5 12 2 11913.96 11508.11 394.04 o
-4 12 2 13671.38 13193.79 445.31 o
-3 12 2 297.42 161.78 310.17 o
-2 12 2 1530.67 1503.09 315.34 o
-1 12 2 2589.28 1537.61 285.85 o
0 12 2 168.29 201.80 313.80 o
-12 13 2 334.40 -250.11 342.68 o
-11 13 2 882.91 1071.10 324.18 o
-10 13 2 3230.34 3340.45 279.33 o
-9 13 2 70.62 145.41 326.32 o
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-7 13 2 38855.82 39739.09 679.70 o
-6 13 2 229.55 -58.72 247.81 o
-5 13 2 1947.57 1325.08 346.74 o
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0 13 2 2466.01 2685.29 504.12 o
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-11 14 2 2073.61 2261.93 389.41 o
-10 14 2 207.70 -130.25 375.07 o
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-8 14 2 3994.12 3749.74 486.29 o
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-6 14 2 3529.47 3577.24 325.24 o
-5 14 2 338.18 698.82 318.73 o
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-3 14 2 76.80 -145.16 393.51 o
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-11 15 2 9757.64 9777.09 610.30 o
-10 15 2 1647.57 2018.75 425.01 o
-9 15 2 5.42 424.72 436.87 o
-8 15 2 5206.51 5077.89 718.54 o
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-6 15 2 17.97 -254.86 410.63 o
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0 1 3 428.98 390.72 16.00 o
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0 2 3 1466.36 1604.84 26.03 o
-2 3 3 31782.80 29691.45 477.36 o
-1 3 3 7579.41 6741.81 102.19 o
0 3 3 164.65 239.89 17.83 o
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-2 4 3 18404.45 17402.43 137.39 o
-1 4 3 26614.23 25916.13 326.22 o
0 4 3 49.63 102.39 39.28 o
-4 5 3 7.91 -45.04 47.60 o
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-1 5 3 414.57 388.46 40.51 o
0 5 3 23078.67 22444.92 284.09 o
-5 6 3 12806.99 12620.71 288.77 o
-4 6 3 164.52 116.55 67.23 o
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0 6 3 6.08 83.27 73.81 o
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0 7 3 304.71 451.29 93.20 o
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