#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:52:36 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181893 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/93/2239348.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_2239348
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   15.7726
_cell_length_b                   15.7726
_cell_length_c                   3.8399
_exptl_crystal_F_000             1184.00
_reflns_d_resolution_high        0.7847
_cod_data_source_file            vn2081Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '    raw17 in I 4/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            661.05
_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'
'-y, x, z'
'y, -x, z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -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 2 0 3626.89 3550.84 322.38 o
2 2 0 3219.30 2962.85 265.70 o
-1 3 0 111.56 459.94 202.97 o
1 3 0 52782.92 57169.11 1406.67 o
3 3 0 4473.22 4610.12 355.39 o
-2 4 0 2288.25 2194.40 208.05 o
0 4 0 7407.94 7472.98 391.24 o
2 4 0 368699.84 353762.91 5000.72 o
4 4 0 602.94 299.77 348.91 o
-3 5 0 6380.87 5976.69 495.97 o
-1 5 0 13264.31 13377.22 579.20 o
1 5 0 294.51 399.65 206.53 o
3 5 0 17577.18 16240.98 918.71 o
5 5 0 553.66 761.29 211.20 o
-4 6 0 10776.14 11546.24 878.46 o
-2 6 0 127505.54 129874.09 2945.69 o
0 6 0 1918.71 1787.11 158.75 o
2 6 0 12638.37 13504.26 881.60 o
4 6 0 8609.83 9116.08 687.72 o
6 6 0 14179.93 14185.71 1114.59 o
-5 7 0 92433.69 86485.95 2747.64 o
-3 7 0 2193.61 1898.87 276.20 o
-1 7 0 18488.11 17373.22 752.46 o
1 7 0 275.33 -233.82 277.04 o
3 7 0 274148.03 270568.34 5061.51 o
5 7 0 10262.17 10573.04 722.94 o
7 7 0 3.75 -529.62 529.62 o
-6 8 0 69921.66 68746.48 2550.49 o
-4 8 0 2272.63 1542.76 290.81 o
-2 8 0 58.56 255.04 299.18 o
0 8 0 30331.89 30861.84 1060.45 o
2 8 0 8857.05 8700.24 671.18 o
4 8 0 104807.56 107070.41 3077.35 o
6 8 0 4567.07 3781.13 415.73 o
8 8 0 1180.94 275.20 525.83 o
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-3 9 0 2691.20 2895.05 355.10 o
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1 9 0 7026.06 7193.41 376.49 o
3 9 0 256.30 520.09 451.40 o
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7 9 0 2743.49 3060.26 433.66 o
9 9 0 58122.52 60723.44 2731.97 o
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-6 10 0 1539.82 1553.81 339.28 o
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0 10 0 47540.98 48694.81 2943.31 o
2 10 0 3848.73 3997.54 375.54 o
4 10 0 153.88 -431.67 524.87 o
6 10 0 6273.88 7024.99 624.66 o
8 10 0 3720.39 4134.02 498.25 o
10 10 0 11085.48 10918.70 921.94 o
-9 11 0 9364.56 9732.96 800.31 o
-7 11 0 770.53 328.96 731.57 o
-5 11 0 6149.32 6728.75 624.32 o
-3 11 0 42834.65 45194.98 2222.88 o
-1 11 0 147.64 56.74 380.35 o
1 11 0 13022.01 12792.74 669.01 o
3 11 0 5684.97 5374.71 520.13 o
5 11 0 114455.91 115257.16 3734.20 o
7 11 0 2107.74 1638.44 821.68 o
9 11 0 2294.26 1702.44 752.81 o
11 11 0 17.02 -411.93 853.29 o
-10 12 0 608.07 412.26 628.21 o
-8 12 0 46522.33 47687.15 2648.71 o
-6 12 0 3591.30 3589.78 468.45 o
-4 12 0 17527.76 16467.65 1265.58 o
-2 12 0 775.49 1399.43 564.68 o
0 12 0 14.20 86.35 308.09 o
2 12 0 26068.77 24354.64 1729.02 o
4 12 0 367.75 -711.49 711.49 o
6 12 0 9811.01 9457.67 696.88 o
8 12 0 2812.57 3062.62 448.07 o
10 12 0 2468.07 2666.75 580.58 o
12 12 0 2039.81 1956.75 526.06 o
-11 13 0 1589.58 1395.48 889.37 o
-9 13 0 2208.28 2567.37 486.92 o
-7 13 0 38596.06 36263.67 2438.24 o
-5 13 0 169.09 -711.24 711.24 o
-3 13 0 11462.27 13938.40 1097.90 o
-1 13 0 5350.35 5156.13 382.80 o
1 13 0 30450.82 31748.54 1489.27 o
3 13 0 612.33 446.68 652.83 o
5 13 0 3091.09 2729.27 507.43 o
7 13 0 1251.86 894.09 555.12 o
9 13 0 1420.76 977.72 540.45 o
11 13 0 63931.73 65161.84 3561.10 o
13 13 0 1477.95 692.65 1090.56 o
-12 14 0 31687.66 34285.35 2633.42 o
-10 14 0 1607.22 786.19 1007.30 o
-8 14 0 4398.55 4330.45 586.93 o
-6 14 0 222.91 1064.46 593.55 o
-4 14 0 100.99 0.00 529.69 o
-2 14 0 72018.94 72078.53 3196.77 o
0 14 0 2619.48 2399.62 406.14 o
2 14 0 6756.98 5437.86 638.87 o
4 14 0 4200.23 4701.52 552.54 o
6 14 0 11778.50 11570.72 921.87 o
8 14 0 1287.57 1390.14 402.80 o
10 14 0 4304.22 4471.61 685.29 o
12 14 0 532.99 -520.14 996.11 o
14 14 0 234.54 -1054.61 1054.61 o
-13 15 0 8976.67 12015.16 1208.45 o
-11 15 0 26160.61 28719.99 2081.38 o
-9 15 0 353.31 323.80 716.27 o
-7 15 0 6286.73 6698.31 687.13 o
-5 15 0 556.17 417.14 726.31 o
-3 15 0 10033.76 9977.15 765.56 o
-1 15 0 7474.83 7743.50 490.36 o
1 15 0 328.25 80.38 507.82 o
3 15 0 2454.86 939.80 880.75 o
5 15 0 12886.25 14564.24 1132.22 o
7 15 0 89014.42 90190.65 4061.52 o
9 15 0 85.15 0.00 966.16 o
11 15 0 4986.09 5642.68 720.13 o
13 15 0 73.51 578.70 882.77 o
-12 16 0 1741.79 393.06 1297.11 o
-10 16 0 2064.15 2511.85 525.97 o
-8 16 0 240.10 -333.56 878.04 o
-6 16 0 38518.01 38412.24 2711.45 o
-4 16 0 1172.59 1483.21 785.80 o
-2 16 0 329.31 -289.45 574.00 o
0 16 0 648.19 756.79 709.22 o
2 16 0 2706.23 2687.03 516.74 o
4 16 0 27901.63 31866.74 2391.53 o
6 16 0 159.41 156.95 676.87 o
8 16 0 60.50 495.33 642.45 o
10 16 0 766.39 898.20 858.94 o
12 16 0 7075.91 3731.33 1680.33 o
-9 17 0 1223.10 1905.35 604.02 o
-7 17 0 0.94 -1034.71 1034.71 o
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-3 17 0 675.98 -790.18 961.96 o
-1 17 0 15.14 339.38 620.35 o
1 17 0 12259.05 12226.56 811.56 o
3 17 0 34829.74 36483.63 2576.40 o
5 17 0 171.97 490.49 848.54 o
7 17 0 3214.44 3229.13 590.69 o
9 17 0 22.87 -554.15 956.28 o
-8 18 0 879.34 1526.60 1079.91 o
-6 18 0 189.91 362.96 676.88 o
-4 18 0 166.63 868.15 716.10 o
-2 18 0 68.79 -809.20 809.20 o
0 18 0 70981.57 71284.48 2676.69 o
2 18 0 82.05 -892.59 892.59 o
4 18 0 211.77 -1039.88 1039.88 o
6 18 0 786.06 903.13 746.06 o
8 18 0 12340.45 11592.87 999.21 o
-5 19 0 129.72 -191.28 784.73 o
-3 19 0 1371.37 1473.46 938.10 o
-1 19 0 10163.21 9677.79 1175.73 o
1 19 0 608.74 -96.18 728.73 o
3 19 0 546.06 186.46 922.50 o
5 19 0 54.77 760.14 892.56 o
-2 20 0 45.14 -1074.00 1074.00 o
0 20 0 1249.63 377.66 979.67 o
2 20 0 37.53 392.32 1000.43 o
0 1 1 78553.61 87292.09 1084.59 o
-1 2 1 43.90 100.51 136.74 o
1 2 1 42705.54 43359.95 688.41 o
-2 3 1 5180.40 5204.76 294.74 o
0 3 1 665.99 760.20 110.87 o
2 3 1 105796.02 106152.98 1732.75 o
-3 4 1 9393.87 9493.55 523.99 o
-1 4 1 333.23 311.54 155.40 o
1 4 1 57879.87 58109.07 941.29 o
3 4 1 8639.60 9162.63 497.72 o
-4 5 1 1056.31 955.19 415.53 o
-2 5 1 35177.61 30070.27 966.09 o
0 5 1 14960.21 14638.41 470.08 o
2 5 1 1980.11 2285.08 293.48 o
4 5 1 848.98 834.56 201.84 o
-5 6 1 740.39 811.86 354.54 o
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-1 6 1 25008.07 24647.18 645.48 o
1 6 1 810.20 959.58 244.73 o
3 6 1 4417.39 4039.33 275.22 o
5 6 1 18521.61 17747.20 869.80 o
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0 7 1 2205.18 2374.56 145.84 o
2 7 1 44.19 -252.76 252.76 o
4 7 1 148204.33 151169.41 4014.38 o
6 7 1 4028.46 4307.97 297.06 o
-7 8 1 3000.56 2726.91 285.61 o
-5 8 1 26248.67 28576.52 2168.99 o
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-1 8 1 2616.84 2864.48 264.84 o
1 8 1 5226.72 5278.46 212.88 o
3 8 1 97516.59 100002.09 2164.52 o
5 8 1 1322.24 841.22 408.08 o
7 8 1 1122.56 1064.41 482.62 o
-8 9 1 1827.51 1701.27 327.64 o
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-4 9 1 9381.09 7688.44 746.15 o
-2 9 1 2423.56 2267.35 252.46 o
0 9 1 153596.06 153800.89 2017.72 o
2 9 1 4786.17 4302.03 316.81 o
4 9 1 14509.85 14736.03 811.21 o
6 9 1 3.98 -183.98 280.68 o
8 9 1 773.93 1018.41 432.73 o
-9 10 1 12298.87 12595.15 1058.41 o
-7 10 1 596.22 670.31 428.11 o
-5 10 1 272.19 347.17 341.38 o
-3 10 1 2153.40 1873.52 306.88 o
-1 10 1 7935.50 7963.65 326.02 o
1 10 1 815.29 288.69 254.92 o
3 10 1 119.39 678.90 314.27 o
5 10 1 6888.54 6967.16 394.13 o
7 10 1 9284.01 8710.24 848.47 o
9 10 1 40136.71 40164.91 1714.35 o
-10 11 1 264.13 53.63 404.83 o
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8 11 1 208.42 245.43 285.23 o
10 11 1 8466.89 8758.85 529.59 o
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-3 12 1 416.98 493.60 386.95 o
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1 12 1 225.51 218.73 551.06 o
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5 12 1 30363.36 32902.88 2116.98 o
7 12 1 200.73 -765.22 765.22 o
9 12 1 3629.41 3656.55 576.57 o
11 12 1 14078.03 14803.18 1147.92 o
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4 13 1 12.54 240.29 539.43 o
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10 13 1 29305.21 33772.92 2409.08 o
12 13 1 2270.69 1189.95 1032.60 o
-13 14 1 392.33 -755.53 961.58 o
-11 14 1 70048.80 68964.16 2743.43 o
-9 14 1 1786.73 1564.67 597.15 o
-7 14 1 66.77 405.04 490.06 o
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-3 14 1 5545.99 6003.94 457.14 o
-1 14 1 569.76 1001.84 290.63 o
1 14 1 5319.21 5275.90 356.39 o
3 14 1 805.72 1158.62 589.13 o
5 14 1 691.83 -269.97 917.89 o
7 14 1 45092.57 46907.72 2774.53 o
9 14 1 7781.65 5931.74 767.46 o
11 14 1 7434.35 7118.70 801.41 o
13 14 1 1108.14 1885.43 883.80 o
-12 15 1 11396.24 12758.22 1102.50 o
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-8 15 1 0.65 254.20 890.05 o
-6 15 1 2559.19 2749.73 595.31 o
-4 15 1 6726.69 6764.35 498.49 o
-2 15 1 78445.61 82275.22 2612.12 o
0 15 1 267.56 819.69 253.29 o
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4 15 1 44.34 -284.44 755.24 o
6 15 1 13977.30 14653.14 1282.65 o
8 15 1 15011.28 15190.62 1138.55 o
10 15 1 1.04 -171.64 833.66 o
12 15 1 3603.56 1905.46 1107.82 o
-11 16 1 779.84 694.78 616.11 o
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-7 16 1 1478.76 603.15 678.45 o
-5 16 1 12524.09 12202.00 691.50 o
-3 16 1 291.78 295.67 353.50 o
-1 16 1 6963.80 7345.75 628.21 o
1 16 1 150.21 106.96 390.01 o
3 16 1 37671.17 34569.76 2613.01 o
5 16 1 4783.30 5549.57 587.02 o
7 16 1 1536.73 2166.60 928.54 o
9 16 1 47.55 -1054.39 1054.39 o
11 16 1 3412.09 2126.51 1240.46 o
-8 17 1 6411.69 7166.86 975.57 o
-6 17 1 34761.86 34744.69 1796.56 o
-4 17 1 283.27 412.66 567.03 o
-2 17 1 3753.39 3990.05 460.12 o
0 17 1 2037.95 1768.58 479.20 o
2 17 1 72.20 647.37 760.16 o
4 17 1 23243.64 24380.58 1849.46 o
6 17 1 819.48 1914.35 834.46 o
8 17 1 5209.54 3393.85 695.54 o
-7 18 1 17.34 -399.66 863.10 o
-5 18 1 8052.25 8183.31 922.97 o
-3 18 1 211.46 -345.32 545.87 o
-1 18 1 46949.32 43118.52 1761.67 o
1 18 1 134.21 367.76 571.10 o
3 18 1 518.27 -706.58 790.00 o
5 18 1 1072.32 1281.48 913.24 o
7 18 1 2585.54 2109.83 1229.50 o
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0 19 1 16644.00 15510.09 776.07 o
2 19 1 722.59 942.31 775.44 o
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1 1 2 395.83 634.67 201.18 o
0 2 2 12535.66 11171.56 605.79 o
2 2 2 935.94 609.40 245.73 o
-1 3 2 3306.30 2808.10 254.97 o
1 3 2 43563.45 46466.88 1877.30 o
3 3 2 25.98 -215.78 451.18 o
-2 4 2 904.85 0.00 442.21 o
0 4 2 18061.40 17491.22 839.51 o
2 4 2 149311.16 155497.84 3957.44 o
4 4 2 1906.50 950.11 580.90 o
-3 5 2 12953.32 12389.64 935.64 o
-1 5 2 19370.82 20850.58 991.78 o
1 5 2 3236.39 2833.45 265.32 o
3 5 2 3403.96 2942.69 394.99 o
5 5 2 505.00 898.26 274.88 o
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0 6 2 689.30 -39.55 381.77 o
2 6 2 21286.59 21102.38 1470.12 o
4 6 2 200.24 -264.91 549.44 o
6 6 2 1363.22 870.04 648.84 o
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-3 7 2 5.70 451.16 372.70 o
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1 7 2 674.28 792.21 495.92 o
3 7 2 187848.55 185439.83 4775.11 o
5 7 2 1719.13 1072.21 668.90 o
7 7 2 1250.17 1321.78 402.92 o
-6 8 2 29731.72 29060.02 2006.44 o
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-2 8 2 3880.61 3268.46 454.23 o
0 8 2 6844.59 7206.22 823.93 o
2 8 2 16934.18 16764.37 1347.81 o
4 8 2 44348.61 45056.30 2324.60 o
6 8 2 37.47 -215.78 632.64 o
8 8 2 6382.59 6237.37 613.84 o
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-3 9 2 44.00 205.98 387.43 o
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3 9 2 540.95 1148.52 667.52 o
5 9 2 2589.02 2781.94 448.06 o
7 9 2 180.68 -603.34 603.34 o
9 9 2 62185.13 66314.00 3266.05 o
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0 10 2 18225.81 16612.16 1354.49 o
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-11 13 2 3215.61 3627.56 679.24 o
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