#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:55:16 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181896 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/96/2239626.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_2239626
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   9.5340
_cell_length_b                   9.5340
_cell_length_c                   18.9803
_exptl_crystal_F_000             1961.50
_reflns_d_resolution_high        0.7108
_cod_data_source_file            ru2060Isup2.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            823.36
_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, 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 12305.94 12008.86 781.65 o
-1 2 0 29859.31 29713.12 782.10 o
0 2 0 94.33 100.58 6.23 o
-2 3 0 9788.56 9294.81 137.58 o
-1 3 0 1587.91 1474.21 22.42 o
0 3 0 2749.82 3435.77 58.60 o
-3 4 0 1295.04 1224.59 23.21 o
-2 4 0 189163.47 180749.44 4625.55 o
-1 4 0 24144.99 24167.77 719.78 o
0 4 0 4025.97 4001.88 66.84 o
-4 5 0 35610.93 35464.07 650.58 o
-3 5 0 9094.56 8624.08 151.47 o
-2 5 0 13476.39 12750.17 194.27 o
-1 5 0 1822.92 1674.21 57.86 o
0 5 0 6412.82 6171.80 155.19 o
-5 6 0 2975.18 2967.82 85.05 o
-4 6 0 194.59 222.98 18.00 o
-3 6 0 631.17 625.82 35.82 o
-2 6 0 11.57 31.43 11.14 o
-1 6 0 2044.98 1881.15 69.29 o
-6 7 0 4934.41 4533.25 113.40 o
-5 7 0 115914.53 114127.72 2781.99 o
-4 7 0 5.77 49.49 15.23 o
-3 7 0 1903.48 1973.28 46.39 o
-2 7 0 78.31 90.20 20.40 o
-1 7 0 856.71 979.15 45.21 o
0 7 0 4867.76 4779.35 136.27 o
-7 8 0 106968.95 107833.73 3788.80 o
-6 8 0 54.17 69.08 27.21 o
-5 8 0 381.33 414.33 25.83 o
-4 8 0 48022.47 48728.58 819.07 o
-3 8 0 5937.20 6122.54 130.62 o
-2 8 0 2257.32 2201.50 112.37 o
-1 8 0 913.24 779.48 48.96 o
0 8 0 5.21 123.69 35.13 o
-8 9 0 469.46 430.24 47.15 o
-7 9 0 135.38 113.02 36.71 o
-6 9 0 3930.27 4018.66 93.69 o
-5 9 0 10.94 5.33 19.64 o
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-1 9 0 59.81 97.00 48.26 o
0 9 0 21715.04 22709.64 890.86 o
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-7 10 0 2450.62 2319.18 86.67 o
-6 10 0 1946.03 1743.86 67.75 o
-5 10 0 1333.06 1265.49 60.27 o
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-3 10 0 468.90 447.28 63.29 o
-2 10 0 1435.76 1250.11 79.89 o
-1 10 0 10657.09 10745.52 494.17 o
0 10 0 5532.67 5272.76 289.37 o
-10 11 0 22935.36 23151.54 823.90 o
-9 11 0 1159.19 752.89 103.37 o
-8 11 0 2976.38 2974.79 223.17 o
-7 11 0 4232.48 4040.86 252.06 o
-6 11 0 535.13 595.34 56.80 o
-5 11 0 1708.43 1540.98 94.64 o
-4 11 0 33875.46 35314.95 833.33 o
-3 11 0 2.05 -0.86 39.51 o
-2 11 0 332.17 294.74 59.64 o
-1 11 0 15206.33 16511.73 459.86 o
0 11 0 387.71 289.91 63.59 o
-11 12 0 956.15 898.84 113.72 o
-10 12 0 190.19 185.32 54.69 o
-9 12 0 7714.91 8107.49 500.61 o
-8 12 0 4296.88 4593.12 278.89 o
-7 12 0 723.23 547.48 73.35 o
-6 12 0 52971.60 55913.32 1578.65 o
-5 12 0 1485.30 1270.97 131.67 o
-4 12 0 61.27 -28.32 41.65 o
-3 12 0 1611.25 1560.21 106.38 o
-2 12 0 224.62 120.15 66.55 o
-1 12 0 209.90 197.39 67.53 o
-9 13 0 18.24 76.20 79.39 o
-8 13 0 742.99 835.81 117.37 o
-7 13 0 1331.47 1179.05 144.39 o
-6 13 0 1891.35 1762.41 142.77 o
-5 13 0 97341.26 113817.82 5745.67 o
-4 13 0 160.66 152.77 87.09 o
0 1 1 120714.66 114972.43 6108.76 o
-1 2 1 641.37 654.55 13.16 o
0 2 1 114.45 167.35 9.68 o
-2 3 1 41196.17 40101.11 466.98 o
-1 3 1 6155.76 6364.48 76.36 o
0 3 1 576.60 539.44 9.46 o
-3 4 1 2917.49 2968.95 30.48 o
-2 4 1 3656.29 3524.72 41.77 o
-1 4 1 103188.23 103002.59 1384.31 o
0 4 1 1115.98 1106.57 20.48 o
-4 5 1 16.83 68.47 7.98 o
-3 5 1 42287.73 40639.18 911.48 o
-2 5 1 2248.79 2161.16 36.51 o
-1 5 1 3.09 18.27 7.00 o
0 5 1 13252.65 12850.05 180.16 o
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-4 6 1 67.20 57.75 8.45 o
-3 6 1 63.82 95.59 9.18 o
-2 6 1 1127.09 1124.19 31.16 o
-1 6 1 1172.03 1094.38 26.75 o
0 6 1 11.47 75.75 17.61 o
-6 7 1 93310.09 90630.55 1576.81 o
-5 7 1 566.61 605.19 19.02 o
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-3 7 1 5581.95 5595.28 69.15 o
-2 7 1 149.95 153.99 14.94 o
-1 7 1 5497.59 5316.88 127.85 o
0 7 1 41431.35 41884.44 894.15 o
-7 8 1 54.45 63.79 19.66 o
-6 8 1 7015.21 6994.63 177.46 o
-5 8 1 1888.24 1711.81 34.57 o
-4 8 1 784.61 762.16 32.86 o
-3 8 1 690.72 673.45 36.47 o
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-1 8 1 15.14 39.53 19.76 o
0 8 1 22.54 59.02 23.14 o
-8 9 1 2428.19 2384.54 78.87 o
-7 9 1 588.05 509.86 37.09 o
-6 9 1 393.51 256.04 18.76 o
-5 9 1 1436.38 1364.22 49.49 o
-4 9 1 41983.89 42775.71 691.90 o
-3 9 1 530.28 471.84 30.78 o
-2 9 1 1631.22 1526.33 62.99 o
-1 9 1 694.09 543.64 36.00 o
0 9 1 0.01 14.94 25.66 o
-9 10 1 36.51 42.00 27.27 o
-8 10 1 424.12 344.12 38.38 o
-7 10 1 17215.95 17434.17 370.23 o
-6 10 1 654.84 563.24 30.00 o
-5 10 1 84.52 69.50 18.09 o
-4 10 1 72.56 41.28 23.89 o
-3 10 1 918.14 813.99 53.87 o
-2 10 1 595.01 478.56 38.06 o
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0 10 1 507.57 477.72 46.58 o
-10 11 1 14.04 7.70 38.20 o
-9 11 1 2842.67 2951.94 114.49 o
-8 11 1 100.69 79.54 34.12 o
-7 11 1 74.62 119.01 27.70 o
-6 11 1 1157.42 1058.81 42.50 o
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-4 11 1 0.25 -13.67 28.25 o
-3 11 1 14.75 -17.57 27.72 o
-2 11 1 386.86 377.06 45.78 o
-1 11 1 0.20 44.74 44.51 o
0 11 1 11.31 23.84 40.60 o
-11 12 1 4775.47 4421.36 213.47 o
-10 12 1 1371.17 1253.75 70.76 o
-9 12 1 113.44 79.25 35.41 o
-8 12 1 11056.33 12195.10 353.75 o
-7 12 1 153.29 186.07 56.87 o
-6 12 1 45.63 42.50 32.08 o
-5 12 1 15994.45 16871.69 670.32 o
-4 12 1 4466.31 4250.34 187.89 o
-3 12 1 2.00 58.49 39.05 o
-2 12 1 1181.72 871.81 62.20 o
-1 12 1 5.58 29.88 40.29 o
-9 13 1 452.07 361.17 63.70 o
-8 13 1 533.36 487.00 69.00 o
-7 13 1 2510.47 2568.81 175.92 o
-6 13 1 15950.02 17704.71 635.04 o
-5 13 1 10.17 -44.70 44.70 o
-4 13 1 1470.27 1383.58 108.50 o
0 0 2 8218.67 5335.36 296.24 o
0 1 2 73043.06 74181.97 1291.27 o
-1 2 2 1684.17 1785.58 34.73 o
0 2 2 5039.99 5402.82 77.80 o
-2 3 2 31945.36 31953.47 401.94 o
-1 3 2 17136.80 17417.16 198.82 o
0 3 2 1242.40 1215.97 14.88 o
-3 4 2 89.89 138.35 7.19 o
-2 4 2 35.61 133.08 15.25 o
-1 4 2 87457.79 85721.27 1209.52 o
0 4 2 458.13 528.55 12.74 o
-4 5 2 1596.42 1638.57 26.54 o
-3 5 2 48398.90 47028.21 543.30 o
-2 5 2 17559.48 17410.23 197.09 o
-1 5 2 24.92 42.17 7.57 o
0 5 2 7548.07 7297.93 112.47 o
-5 6 2 41774.71 41638.41 608.54 o
-4 6 2 44.61 46.63 7.30 o
-3 6 2 33.18 40.99 7.40 o
-2 6 2 4290.08 4040.38 61.91 o
-1 6 2 76.20 83.87 10.60 o
0 6 2 4880.82 4792.17 85.54 o
-6 7 2 76351.54 75085.16 1483.43 o
-5 7 2 1149.68 1133.85 27.32 o
-4 7 2 8.79 7.99 9.78 o
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-1 7 2 4295.87 4162.77 88.51 o
0 7 2 40070.77 39172.92 674.71 o
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-6 8 2 512.14 477.31 27.88 o
-5 8 2 7940.80 7892.10 104.32 o
-4 8 2 4.75 17.07 14.49 o
-3 8 2 4855.91 4961.97 92.85 o
-2 8 2 9582.55 9436.20 189.54 o
-1 8 2 337.23 309.86 26.92 o
0 8 2 889.39 896.10 39.91 o
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-7 9 2 4129.73 3969.17 87.87 o
-6 9 2 62.02 78.07 14.35 o
-5 9 2 3801.69 3671.36 84.62 o
-4 9 2 37333.28 37638.30 564.65 o
-3 9 2 9.71 27.51 18.82 o
-2 9 2 4472.60 4315.09 99.94 o
-1 9 2 4040.35 4027.46 87.62 o
0 9 2 5.41 94.11 25.74 o
-9 10 2 100.37 104.84 30.76 o
-8 10 2 182.66 172.78 32.95 o
-7 10 2 18510.52 18084.64 293.59 o
-6 10 2 223.29 192.62 29.75 o
-5 10 2 371.15 276.14 24.86 o
-4 10 2 0.33 12.42 22.22 o
-3 10 2 312.10 215.27 30.87 o
-2 10 2 37.55 36.32 25.56 o
-1 10 2 23887.29 23895.74 413.59 o
0 10 2 10.87 72.68 33.15 o
-10 11 2 783.86 681.69 57.15 o
-9 11 2 3359.68 3198.49 145.10 o
-8 11 2 4156.08 4105.76 116.05 o
-7 11 2 19.24 49.62 31.18 o
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0 11 2 374.39 278.74 54.68 o
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-5 12 2 13706.12 14342.23 397.23 o
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-2 12 2 2553.60 2501.07 134.31 o
-1 12 2 50.88 -44.24 44.24 o
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0 2 3 323.82 296.88 12.53 o
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0 3 3 13.73 94.69 15.55 o
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-1 5 3 1292.34 1262.37 22.41 o
0 5 3 2212.89 2149.40 29.30 o
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-1 7 3 208.20 215.13 21.27 o
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-7 8 3 0.82 49.35 16.73 o
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-5 8 3 8.57 -11.07 12.11 o
-4 8 3 64.19 34.90 19.71 o
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-2 8 3 939.91 899.26 41.61 o
-1 8 3 223.01 240.93 23.24 o
0 8 3 349.05 291.90 25.99 o
-8 9 3 49.66 85.46 23.19 o
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-6 9 3 1.19 35.39 16.06 o
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-1 9 3 19190.91 19525.43 512.68 o
0 9 3 519.21 430.03 33.75 o
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-5 10 3 44.27 71.01 28.98 o
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-2 10 3 10.48 32.28 29.45 o
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0 10 3 10111.37 9685.87 215.64 o
-10 11 3 165.78 138.21 47.56 o
-9 11 3 13241.67 13380.36 408.85 o
-8 11 3 45753.96 48776.18 1000.04 o
-7 11 3 817.78 803.02 50.14 o
-6 11 3 1877.77 1807.07 61.59 o
-5 11 3 1950.53 2020.08 84.42 o
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-3 11 3 2929.29 2823.55 104.48 o
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-1 11 3 587.45 492.56 59.40 o
0 11 3 600.52 576.27 59.60 o
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-7 13 3 3244.95 3352.12 118.75 o
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0 0 4 35910.86 34755.53 1972.08 o
0 1 4 10431.30 10422.30 118.96 o
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0 2 4 2281.11 2368.22 43.66 o
-2 3 4 7846.64 7813.66 141.08 o
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0 3 4 6.01 115.07 21.30 o
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-1 5 4 1527.47 1397.35 23.51 o
0 5 4 797.26 690.24 18.18 o
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-4 6 4 63.66 107.89 412.03 o
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-2 6 4 279.28 254.22 15.10 o
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-6 7 4 7740.88 7892.57 105.67 o
-5 7 4 7185.82 7191.46 110.72 o
-4 7 4 13193.08 13566.05 167.41 o
-3 7 4 17972.75 18375.12 300.77 o
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-1 7 4 8.77 30.38 13.15 o
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