#------------------------------------------------------------------------------
#$Date: 2016-04-06 17:08:40 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181907 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/07/2240700.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_2240700
_cell_angle_alpha                90.000
_cell_angle_beta                 105.841
_cell_angle_gamma                90.000
_cell_length_a                   7.9080
_cell_length_b                   10.0806
_cell_length_c                   8.6371
_exptl_crystal_F_000             804.00
_reflns_d_resolution_high        0.7844
_cod_data_source_file            wm5157Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' bghz17 in Cs Cr As2 O7  P 21/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            343.11
_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-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
1 0 0 3639.61 3708.22 55.85 o
2 0 0 19130.26 18887.25 490.60 o
3 0 0 62978.92 63048.73 1605.56 o
4 0 0 9144.74 10073.76 580.16 o
5 0 0 17187.62 17690.14 570.69 o
6 0 0 1433.58 1469.65 45.17 o
7 0 0 12076.43 12175.89 602.67 o
8 0 0 3669.83 3695.47 355.72 o
9 0 0 1095.45 1085.92 64.76 o
1 1 0 333.48 342.31 12.23 o
2 1 0 13187.84 13298.62 260.17 o
3 1 0 18495.82 19716.71 780.16 o
4 1 0 2252.65 2432.65 49.43 o
5 1 0 14810.74 15112.04 915.34 o
6 1 0 19834.80 20570.97 805.89 o
7 1 0 14186.96 15011.04 556.13 o
8 1 0 91.68 21.28 111.14 o
9 1 0 3978.44 4002.50 294.61 o
0 2 0 2292.33 2176.33 64.76 o
1 2 0 90.97 97.66 14.24 o
2 2 0 1173.01 1204.42 60.73 o
3 2 0 19457.10 21616.53 227.53 o
4 2 0 3.01 -1.39 63.38 o
5 2 0 6562.84 6690.87 365.99 o
6 2 0 848.88 893.41 40.01 o
7 2 0 702.45 717.57 56.11 o
8 2 0 13074.74 13234.17 1394.62 o
9 2 0 1736.21 1846.25 164.51 o
1 3 0 84821.02 82624.69 4990.55 o
2 3 0 19890.49 19856.70 1711.80 o
3 3 0 512.48 572.57 30.95 o
4 3 0 25322.44 26940.92 1152.49 o
5 3 0 1381.30 1519.48 92.83 o
6 3 0 2292.54 2329.95 162.43 o
7 3 0 460.90 490.90 41.50 o
8 3 0 2673.61 2765.60 259.46 o
9 3 0 495.22 578.73 79.70 o
0 4 0 22067.28 19425.74 254.22 o
1 4 0 7618.04 7415.46 258.74 o
2 4 0 285.63 321.86 19.46 o
3 4 0 3101.62 2944.18 183.76 o
4 4 0 432.40 508.14 52.37 o
5 4 0 11.38 100.57 55.41 o
6 4 0 8747.57 9012.81 404.07 o
7 4 0 8490.92 8788.77 558.33 o
8 4 0 516.57 538.29 187.90 o
9 4 0 2679.65 2883.84 226.09 o
1 5 0 420.04 517.62 38.98 o
2 5 0 12945.01 12909.88 949.82 o
3 5 0 1387.71 1332.33 62.42 o
4 5 0 3168.71 3447.72 395.55 o
5 5 0 6723.05 6663.62 368.08 o
6 5 0 2.84 108.26 62.01 o
7 5 0 1.44 40.90 74.88 o
8 5 0 30.79 -26.23 140.94 o
0 6 0 9614.94 9412.64 220.88 o
1 6 0 2331.21 2165.29 85.72 o
2 6 0 3236.77 3195.68 173.15 o
3 6 0 1205.69 1369.27 98.64 o
4 6 0 2930.26 3016.98 136.55 o
5 6 0 5378.70 5570.87 115.60 o
6 6 0 815.79 770.42 46.55 o
7 6 0 471.33 472.09 126.18 o
8 6 0 10929.47 10897.10 814.38 o
1 7 0 35075.75 33319.77 1244.44 o
2 7 0 12468.55 11552.95 344.02 o
3 7 0 22.67 72.90 85.12 o
4 7 0 13987.41 14640.89 1519.01 o
5 7 0 78.75 108.09 85.47 o
6 7 0 617.22 647.35 74.23 o
7 7 0 3.41 -32.41 94.91 o
8 7 0 779.53 748.01 64.30 o
0 8 0 422.40 653.50 43.92 o
1 8 0 7432.13 6777.98 271.17 o
2 8 0 10013.59 9350.61 176.42 o
3 8 0 6458.14 6287.91 531.45 o
4 8 0 1901.32 1843.90 55.76 o
5 8 0 777.77 713.30 48.19 o
6 8 0 15704.60 15835.87 1497.58 o
7 8 0 1961.76 2145.01 132.67 o
1 9 0 2166.34 2041.69 49.91 o
2 9 0 2346.29 2124.55 138.48 o
3 9 0 815.95 907.31 90.17 o
4 9 0 8981.36 9485.60 572.72 o
5 9 0 450.32 546.35 56.91 o
6 9 0 3550.46 3453.97 433.07 o
0 10 0 24038.15 21672.24 467.36 o
1 10 0 7775.37 7012.12 210.55 o
2 10 0 10990.84 10658.12 442.72 o
3 10 0 12298.64 12007.67 619.13 o
4 10 0 15.35 -12.30 82.53 o
5 10 0 2260.29 2308.08 175.98 o
6 10 0 3230.65 3546.34 255.85 o
1 11 0 728.90 760.91 44.96 o
2 11 0 8002.36 7395.32 156.57 o
3 11 0 215.06 240.83 52.66 o
4 11 0 1587.96 1469.78 189.55 o
5 11 0 4201.15 4374.17 437.36 o
0 12 0 968.81 899.16 76.16 o
1 12 0 4793.21 4331.37 97.26 o
2 12 0 105.08 192.97 74.12 o
3 12 0 273.62 205.90 105.21 o
-9 1 1 1033.21 1174.13 89.90 o
-8 1 1 471.14 523.09 64.70 o
-7 1 1 208.55 207.47 106.86 o
-6 1 1 12522.79 13333.42 342.58 o
-5 1 1 104.68 143.66 69.11 o
-4 1 1 149.29 162.51 25.41 o
-3 1 1 21928.03 22822.96 305.73 o
-2 1 1 102.42 104.03 44.74 o
-1 1 1 293.88 284.11 15.08 o
0 1 1 1923.21 1879.58 52.28 o
1 1 1 7986.99 8219.21 147.29 o
2 1 1 1918.74 1959.88 62.78 o
3 1 1 14999.06 13260.85 260.48 o
4 1 1 12934.26 12783.67 293.31 o
5 1 1 14539.12 14167.32 349.91 o
6 1 1 7013.95 7208.35 192.62 o
7 1 1 1952.86 1830.43 83.82 o
8 1 1 10788.71 10126.01 307.55 o
9 1 1 205.71 229.19 77.96 o
-9 2 1 2206.44 2449.85 109.41 o
-8 2 1 3.70 -123.21 123.21 o
-7 2 1 27278.52 29042.83 573.90 o
-6 2 1 348.96 369.19 46.26 o
-5 2 1 22233.53 22979.91 417.17 o
-4 2 1 54546.71 58849.73 599.90 o
-3 2 1 1247.95 1228.76 40.78 o
-2 2 1 102792.85 108254.59 632.79 o
-1 2 1 2384.56 2337.94 73.39 o
0 2 1 10688.46 10608.64 168.97 o
1 2 1 32851.81 33005.83 320.74 o
2 2 1 3020.82 3493.15 106.76 o
3 2 1 115.59 99.32 23.94 o
4 2 1 5127.78 5643.28 171.88 o
5 2 1 9602.44 9459.09 281.12 o
6 2 1 604.23 585.01 54.13 o
7 2 1 4268.42 4226.25 129.53 o
8 2 1 2145.36 2181.27 100.92 o
9 2 1 366.79 347.40 156.24 o
-9 3 1 4222.50 4668.89 148.40 o
-8 3 1 2741.73 2852.84 112.38 o
-7 3 1 1577.82 1636.44 79.29 o
-6 3 1 1619.11 1676.16 68.64 o
-5 3 1 11756.89 12415.59 327.15 o
-4 3 1 9542.86 11023.07 272.01 o
-3 3 1 1042.26 1039.16 38.44 o
-2 3 1 5757.53 5985.74 165.37 o
-1 3 1 2990.06 2882.59 86.56 o
0 3 1 34928.67 35103.68 318.61 o
1 3 1 606.33 551.09 27.97 o
2 3 1 7047.10 7188.02 184.59 o
3 3 1 36581.05 34911.48 453.20 o
4 3 1 3830.62 3932.62 108.94 o
5 3 1 5584.33 6061.22 183.77 o
6 3 1 4888.82 5261.28 157.84 o
7 3 1 599.06 608.58 61.49 o
8 3 1 14559.59 13988.92 398.41 o
9 3 1 46.68 122.35 146.70 o
-9 4 1 3293.63 3637.15 139.02 o
-8 4 1 80.91 -13.39 121.97 o
-7 4 1 3365.87 3491.31 111.51 o
-6 4 1 1.30 -78.24 100.69 o
-5 4 1 78.45 66.59 84.89 o
-4 4 1 104.89 49.96 72.43 o
-3 4 1 464.05 585.85 34.98 o
-2 4 1 4711.62 4840.63 146.66 o
-1 4 1 4748.28 5301.64 140.55 o
0 4 1 8738.85 9609.85 178.88 o
1 4 1 13395.80 12027.13 228.78 o
2 4 1 3002.87 2618.91 74.71 o
3 4 1 16134.03 15318.40 312.52 o
4 4 1 37632.80 36153.30 529.17 o
5 4 1 709.14 639.60 50.74 o
6 4 1 23253.93 23959.09 518.81 o
7 4 1 13570.88 14436.30 376.04 o
8 4 1 38.94 -40.84 113.08 o
-9 5 1 3482.86 3712.24 144.74 o
-8 5 1 7514.45 8889.02 270.53 o
-7 5 1 6.75 173.00 114.60 o
-6 5 1 47480.40 52380.07 777.28 o
-5 5 1 9368.35 9710.84 276.68 o
-4 5 1 1472.67 1486.83 61.29 o
-3 5 1 106921.84 115774.60 958.01 o
-2 5 1 8225.16 8613.41 242.97 o
-1 5 1 25660.83 27595.16 383.75 o
0 5 1 24468.43 25939.76 324.16 o
1 5 1 8112.10 7647.11 193.66 o
2 5 1 7182.08 6531.05 177.09 o
3 5 1 432.25 416.89 36.67 o
4 5 1 7503.82 7028.60 221.46 o
5 5 1 2226.11 2083.02 73.30 o
6 5 1 69.43 52.13 104.77 o
7 5 1 288.67 253.08 60.05 o
8 5 1 284.90 155.86 73.33 o
-8 6 1 9225.47 10432.77 306.95 o
-7 6 1 28.58 66.72 117.09 o
-6 6 1 2590.23 2792.56 98.34 o
-5 6 1 5383.66 5594.46 173.20 o
-4 6 1 6151.75 6471.91 174.41 o
-3 6 1 3028.33 3149.61 91.01 o
-2 6 1 1454.18 1599.20 56.53 o
-1 6 1 34477.84 37610.32 481.82 o
0 6 1 7623.21 7664.04 200.55 o
1 6 1 6329.35 5743.06 159.42 o
2 6 1 14238.89 13145.27 300.21 o
3 6 1 6609.97 6821.62 200.09 o
4 6 1 23175.07 22896.80 459.83 o
5 6 1 842.12 876.28 58.13 o
6 6 1 561.68 638.63 60.69 o
7 6 1 25859.55 24889.92 590.87 o
8 6 1 2746.54 2723.62 115.39 o
-8 7 1 939.82 1062.61 97.41 o
-7 7 1 2147.21 2207.65 112.10 o
-6 7 1 3012.35 3259.50 112.38 o
-5 7 1 1782.61 1800.96 80.86 o
-4 7 1 4604.48 4983.90 143.80 o
-3 7 1 5076.29 6002.73 165.98 o
-2 7 1 4100.74 4478.00 118.86 o
-1 7 1 1276.62 1428.69 51.84 o
0 7 1 489.50 414.60 34.61 o
1 7 1 746.33 724.04 38.41 o
2 7 1 39716.36 37910.54 529.07 o
3 7 1 15.51 -78.43 86.63 o
4 7 1 357.22 304.51 51.86 o
5 7 1 21530.93 21826.70 499.41 o
6 7 1 2656.51 2589.83 98.79 o
7 7 1 3644.81 3791.60 127.07 o
-7 8 1 3874.64 4350.58 148.87 o
-6 8 1 2186.40 2211.27 108.76 o
-5 8 1 9777.14 10934.93 305.66 o
-4 8 1 24767.12 28420.22 604.98 o
-3 8 1 24.34 41.83 83.67 o
-2 8 1 12421.63 12632.02 362.09 o
-1 8 1 19583.73 21056.92 417.98 o
0 8 1 582.81 571.73 41.71 o
1 8 1 2.96 -73.55 73.55 o
2 8 1 2143.01 2140.07 69.00 o
3 8 1 1625.72 1468.68 63.65 o
4 8 1 194.42 187.50 108.55 o
5 8 1 6.17 66.67 101.83 o
6 8 1 3363.63 3170.62 115.34 o
7 8 1 135.73 342.41 139.79 o
-7 9 1 38.66 17.04 167.87 o
-6 9 1 971.37 1037.79 94.18 o
-5 9 1 144.63 56.02 140.06 o
-4 9 1 5.96 64.66 122.00 o
-3 9 1 3186.50 3477.89 108.25 o
-2 9 1 88.05 96.67 49.22 o
-1 9 1 353.43 523.24 49.23 o
0 9 1 985.85 893.52 55.70 o
1 9 1 26.04 22.96 80.63 o
2 9 1 317.27 288.54 44.78 o
3 9 1 3992.49 3962.35 125.16 o
4 9 1 928.54 917.84 68.53 o
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6 9 1 999.42 965.35 87.53 o
-6 10 1 376.96 497.56 91.36 o
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-4 10 1 2667.09 2646.68 117.51 o
-3 10 1 672.40 677.48 73.87 o
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-1 10 1 9312.64 10042.31 289.98 o
0 10 1 278.22 211.76 101.37 o
1 10 1 396.09 431.79 52.69 o
2 10 1 1814.80 1716.86 77.05 o
3 10 1 1194.59 1215.22 71.27 o
4 10 1 404.07 356.13 64.16 o
5 10 1 194.97 117.07 137.05 o
-5 11 1 5210.60 5458.62 166.96 o
-4 11 1 1987.92 1997.23 115.52 o
-3 11 1 44.47 -70.80 147.83 o
-2 11 1 2675.94 2671.73 107.18 o
-1 11 1 16.75 164.06 105.48 o
0 11 1 158.02 100.78 100.78 o
1 11 1 532.64 495.32 56.73 o
2 11 1 13122.15 12575.54 344.20 o
3 11 1 75.06 151.02 117.90 o
4 11 1 58.04 64.60 140.94 o
-3 12 1 218.96 404.05 167.37 o
-2 12 1 3151.71 3304.13 121.32 o
-1 12 1 3768.20 3794.02 121.87 o
0 12 1 3002.44 2661.86 100.42 o
1 12 1 728.53 652.95 70.68 o
2 12 1 447.95 318.93 137.24 o
3 12 1 20.45 -25.67 135.84 o
-10 0 2 1399.42 1460.06 100.93 o
-9 0 2 57102.99 60287.66 926.31 o
-8 0 2 7137.12 7539.90 220.87 o
-7 0 2 807.13 710.23 55.26 o
-6 0 2 50753.44 51821.54 643.28 o
-5 0 2 15627.04 15307.73 315.67 o
-4 0 2 23775.08 23291.01 338.47 o
-3 0 2 10526.34 10833.38 194.40 o
-2 0 2 40282.71 40114.65 313.90 o
-1 0 2 15550.17 14508.70 166.02 o
0 0 2 14688.01 14970.87 182.62 o
1 0 2 9436.27 10072.88 181.45 o
2 0 2 3828.99 4515.13 129.27 o
3 0 2 9156.31 9448.55 239.18 o
4 0 2 11051.73 10981.21 289.95 o
5 0 2 841.96 887.00 54.49 o
6 0 2 10855.48 10812.74 304.05 o
7 0 2 15682.41 14990.94 390.32 o
8 0 2 9552.77 9456.42 261.91 o
9 0 2 45.24 177.14 151.92 o
-10 1 2 63.79 122.74 160.91 o
-9 1 2 79.27 -143.74 143.74 o
-8 1 2 45.24 -78.26 108.98 o
-7 1 2 4876.44 4852.07 144.95 o
-6 1 2 5676.86 5799.55 177.75 o
-5 1 2 65.93 166.13 68.24 o
-4 1 2 24027.71 24365.22 355.75 o
-3 1 2 15465.59 16155.97 246.31 o
-2 1 2 48002.13 47011.09 353.42 o
-1 1 2 9127.78 8841.78 135.87 o
0 1 2 8726.20 8474.90 147.43 o
1 1 2 117725.31 120475.22 687.99 o
2 1 2 8.38 107.05 46.36 o
3 1 2 5331.04 5574.52 163.80 o
4 1 2 43653.66 43036.51 578.39 o
5 1 2 381.76 441.69 47.76 o
6 1 2 9529.29 9440.14 287.84 o
7 1 2 1450.17 1444.16 85.39 o
8 1 2 784.50 740.33 83.12 o
9 1 2 5646.02 5480.74 162.91 o
-9 2 2 787.80 796.18 82.10 o
-8 2 2 4.99 81.07 98.95 o
-7 2 2 338.70 204.29 113.03 o
-6 2 2 8525.98 9138.17 247.46 o
-5 2 2 1318.61 1313.83 52.72 o
-4 2 2 3124.85 3175.92 102.50 o
-3 2 2 3188.85 2754.18 82.77 o
-2 2 2 1687.92 2056.86 56.28 o
-1 2 2 36802.00 35100.84 293.51 o
0 2 2 22760.11 21501.99 262.75 o
1 2 2 1753.19 1776.45 55.00 o
2 2 2 27133.00 25860.67 366.05 o
3 2 2 4946.40 4651.82 139.60 o
4 2 2 3381.06 3752.41 115.98 o
5 2 2 18108.18 19335.18 427.76 o
6 2 2 6068.55 5721.88 173.55 o
7 2 2 2324.14 2420.02 102.01 o
8 2 2 1457.27 1475.75 97.40 o
-9 3 2 2460.77 2493.96 115.69 o
-8 3 2 11095.99 12432.13 361.81 o
-7 3 2 12149.92 12513.03 374.06 o
-6 3 2 4298.21 4479.38 134.11 o
-5 3 2 26225.37 26683.40 455.58 o
-4 3 2 2542.39 2758.59 82.38 o
-3 3 2 51.43 227.60 27.00 o
-2 3 2 339.64 421.11 25.32 o
-1 3 2 8791.90 9095.42 166.45 o
0 3 2 32.80 51.73 48.90 o
1 3 2 4526.49 3552.65 108.88 o
2 3 2 4228.87 4114.55 124.75 o
3 3 2 316.94 381.60 32.73 o
4 3 2 1694.64 1666.47 61.30 o
5 3 2 7.12 -9.05 90.94 o
6 3 2 404.18 440.25 51.87 o
7 3 2 2728.62 2969.08 109.70 o
8 3 2 6704.02 6196.92 207.97 o
-9 4 2 5484.70 5884.70 169.87 o
-8 4 2 127.38 90.17 122.88 o
-7 4 2 99.17 -33.06 130.87 o
-6 4 2 2640.86 2794.14 86.83 o
-5 4 2 151.66 134.82 88.67 o
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-3 4 2 21104.65 22397.93 373.51 o
-2 4 2 4948.18 5037.08 144.91 o
-1 4 2 297.18 454.59 24.04 o
0 4 2 11734.12 10299.42 240.97 o
1 4 2 5656.52 5638.54 160.81 o
2 4 2 25158.02 25167.38 406.46 o
3 4 2 1348.72 1382.98 52.88 o
4 4 2 240.19 57.23 85.36 o
5 4 2 19641.85 19906.73 457.75 o
6 4 2 2255.53 2137.03 88.14 o
7 4 2 1487.54 1772.71 96.36 o
8 4 2 213.86 147.70 160.44 o
-9 5 2 243.03 219.06 177.03 o
-8 5 2 1.62 -130.89 130.89 o
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-6 5 2 798.69 737.56 62.47 o
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-3 5 2 81.97 166.11 33.15 o
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5 6 2 3647.39 3559.28 109.82 o
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-3 7 2 683.58 771.02 56.08 o
-2 7 2 149.68 191.21 44.10 o
-1 7 2 1821.36 2063.90 67.42 o
0 7 2 338.55 336.72 32.85 o
1 7 2 2197.96 2207.90 70.66 o
2 7 2 435.69 443.26 44.49 o
3 7 2 146.75 36.32 85.19 o
4 7 2 104.79 153.40 107.75 o
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1 8 2 21.74 134.35 60.70 o
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3 8 2 396.35 383.64 50.11 o
4 8 2 7.13 44.31 103.92 o
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-3 2 10 3.10 47.52 111.45 o
-2 2 10 967.92 969.24 82.72 o
-1 2 10 100.00 284.53 140.49 o
0 2 10 1177.57 1149.16 88.62 o
1 2 10 496.79 517.21 87.89 o
-5 3 10 6015.25 6132.00 178.48 o
-4 3 10 8861.12 8865.64 255.33 o
-3 3 10 2810.56 3005.33 112.84 o
-2 3 10 5668.42 6124.21 188.50 o
-1 3 10 11176.98 11461.25 374.52 o
0 3 10 190.47 198.79 140.57 o
-5 4 10 741.78 829.50 82.51 o
-4 4 10 2951.79 3262.35 112.84 o
-3 4 10 32.83 37.80 125.37 o
-2 4 10 4625.01 4762.51 140.35 o
-1 4 10 4689.49 4899.81 143.19 o
0 4 10 142.80 265.83 144.70 o
-4 5 10 2749.78 3065.83 118.02 o
-3 5 10 484.36 373.20 79.18 o
-2 5 10 339.33 430.03 74.96 o
-1 5 10 0.02 -86.87 162.51 o