#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/02/2200255.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2200255_Fobs
loop_
_publ_author_name
'Barker, Marten G.'
'Francesconi, M. Grazia'
'Wilson, Claire'
_publ_section_title
;
 Barium oxide iodide
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i41
_journal_page_last               i43
_journal_volume                  57
_journal_year                    2001
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.8380
_cell_length_b                   10.8380
_cell_length_c                   8.4100
_exptl_crystal_F_000             1100.00
_reflns_d_resolution_high        0.7375
_[local]_cod_data_source_file    br6008Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
'                                  ba4oi6 in P 63 m c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            511.85
_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, y, z'
'x, x-y, z'
'-y, -x, z'
'y, x, z+1/2'
'-x, -x+y, z+1/2'
'x-y, -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 2 -11 7110.93 7839.45 823.22 o
-1 3 -11 8003.32 8734.82 856.89 o
-1 2 -10 177.64 10.42 307.01 o
0 2 -10 421.95 359.11 324.64 o
-1 3 -10 775.59 757.49 245.93 o
0 3 -10 5187.76 7371.33 743.06 o
-2 4 -10 30254.94 34093.52 1066.80 o
-1 4 -10 807.75 898.26 264.17 o
0 4 -10 623.54 2105.75 457.70 o
-2 5 -10 5138.61 5676.08 407.74 o
-1 5 -10 437.52 516.12 196.24 o
0 5 -10 2085.36 2144.23 487.36 o
-2 6 -10 512.48 482.55 377.54 o
-1 6 -10 461.74 382.35 399.99 o
-1 3 -9 7909.02 8237.70 407.00 o
0 3 -9 34321.76 37358.44 1478.11 o
-1 4 -9 1115.53 1511.77 257.01 o
0 4 -9 2613.62 2691.41 313.29 o
-2 5 -9 5408.05 6009.55 439.44 o
-1 5 -9 11077.99 10855.01 466.51 o
0 5 -9 14077.87 14782.87 660.67 o
-2 6 -9 31.06 76.34 158.97 o
-1 6 -9 5114.38 5080.88 269.62 o
0 6 -9 10030.55 11043.54 606.90 o
-3 7 -9 5244.65 5350.09 360.54 o
-2 7 -9 23926.46 24290.52 554.68 o
-1 7 -9 556.18 507.33 173.25 o
0 7 -9 3592.94 3754.60 568.32 o
-3 8 -9 3439.98 2640.40 472.93 o
-2 8 -9 3002.72 3226.27 381.70 o
-1 3 -8 4930.95 5606.98 384.85 o
0 3 -8 2297.98 2621.51 289.16 o
-2 4 -8 8015.85 8917.16 484.15 o
-1 4 -8 1918.82 1880.02 178.46 o
0 4 -8 12130.51 12826.08 821.62 o
-2 5 -8 4523.30 4842.48 235.36 o
-1 5 -8 1340.51 1562.60 200.89 o
0 5 -8 13508.12 13611.22 895.77 o
-3 6 -8 8852.16 8712.96 524.23 o
-2 6 -8 2761.84 2431.63 204.95 o
-1 6 -8 11405.09 11180.43 357.10 o
0 6 -8 1450.22 1743.62 342.27 o
-3 7 -8 1767.46 1727.73 190.68 o
-2 7 -8 1355.40 1284.49 157.63 o
-1 7 -8 379.45 454.87 128.52 o
0 7 -8 4965.82 5044.42 342.79 o
-4 8 -8 1244.99 1466.89 377.54 o
-3 8 -8 28605.62 27830.56 763.84 o
-2 8 -8 3706.40 3698.92 233.70 o
-1 8 -8 4935.45 5292.46 276.28 o
0 8 -8 1179.17 1105.73 211.63 o
-4 9 -8 5169.49 4895.62 296.76 o
-3 9 -8 737.94 792.07 176.28 o
-2 9 -8 687.62 591.85 198.28 o
-4 10 -8 1215.16 742.23 273.55 o
-1 3 -7 9236.78 9822.31 353.56 o
0 3 -7 27634.36 27837.71 739.87 o
-1 4 -7 2825.22 3064.97 195.36 o
0 4 -7 3139.92 2760.64 395.18 o
-2 5 -7 43325.16 43530.45 548.75 o
-1 5 -7 9357.73 9527.76 328.61 o
0 5 -7 17694.00 17612.78 641.77 o
-2 6 -7 2619.47 2636.25 175.56 o
-1 6 -7 5192.97 5324.05 241.61 o
0 6 -7 7372.02 7336.51 453.77 o
-3 7 -7 5813.50 5681.20 224.33 o
-2 7 -7 20308.58 19428.71 498.20 o
-1 7 -7 1601.71 1622.00 159.08 o
0 7 -7 26344.48 26031.79 830.52 o
-3 8 -7 4839.08 4839.04 269.47 o
-2 8 -7 2898.00 3034.56 203.60 o
-1 8 -7 174.20 148.10 113.19 o
0 8 -7 27065.02 24840.30 693.15 o
-4 9 -7 7632.14 7203.84 299.21 o
-3 9 -7 1116.14 1101.31 152.43 o
-2 9 -7 6102.39 5985.15 283.75 o
-1 9 -7 1968.65 1720.32 161.03 o
0 9 -7 6216.72 5803.20 620.78 o
-4 10 -7 6853.55 6493.07 300.81 o
-3 10 -7 2415.89 2247.12 202.44 o
-2 10 -7 10829.63 9953.26 876.85 o
-1 10 -7 1164.98 1536.63 370.33 o
-5 11 -7 8014.34 8408.83 572.47 o
-4 11 -7 835.37 887.35 379.15 o
-1 3 -6 22341.74 23012.21 482.26 o
0 3 -6 23326.74 23797.49 480.38 o
-2 4 -6 45484.66 44394.80 1029.48 o
-1 4 -6 550.95 608.73 88.31 o
0 4 -6 5226.14 5469.02 677.34 o
-2 5 -6 13953.80 14063.29 295.00 o
-1 5 -6 2085.91 2089.96 143.44 o
0 5 -6 49167.87 48162.89 1773.09 o
-3 6 -6 30019.50 30115.97 943.49 o
-2 6 -6 5.94 51.15 76.82 o
-1 6 -6 1211.01 1227.19 130.49 o
0 6 -6 7126.63 6803.37 538.66 o
-3 7 -6 14212.36 13925.44 321.04 o
-2 7 -6 14384.20 14073.49 358.88 o
-1 7 -6 224.92 232.18 102.37 o
0 7 -6 10343.81 10222.29 597.91 o
-4 8 -6 6829.48 6614.00 334.23 o
-3 8 -6 1644.46 1667.48 141.36 o
-2 8 -6 15250.71 14650.84 388.31 o
-1 8 -6 21099.17 19744.88 458.89 o
0 8 -6 7148.78 6488.68 350.53 o
-4 9 -6 173.30 273.65 104.40 o
-3 9 -6 4111.90 3637.53 198.17 o
-2 9 -6 9098.75 8965.91 348.90 o
-1 9 -6 164.91 219.13 105.46 o
0 9 -6 32.79 222.49 152.98 o
-5 10 -6 53831.13 49440.88 1857.84 o
-4 10 -6 723.25 685.75 126.28 o
-3 10 -6 1134.81 1188.41 157.96 o
-2 10 -6 8625.91 8145.52 374.35 o
-1 10 -6 1632.70 1452.19 174.85 o
-5 11 -6 1439.20 1452.34 158.70 o
-4 11 -6 1624.07 1709.85 166.84 o
-3 11 -6 8631.72 8569.31 380.89 o
-6 12 -6 914.57 901.78 443.27 o
-5 12 -6 1038.39 671.68 268.37 o
-1 3 -5 44379.13 45436.56 507.51 o
0 3 -5 31538.76 33248.48 1040.90 o
-1 4 -5 183.43 227.29 64.74 o
0 4 -5 2720.13 2807.49 180.04 o
-2 5 -5 2343.28 2570.57 133.86 o
-1 5 -5 7629.12 7744.11 230.94 o
0 5 -5 95973.97 92974.54 1625.23 o
-2 6 -5 118.72 112.88 76.13 o
-1 6 -5 1121.61 1360.64 104.50 o
0 6 -5 10856.85 10780.61 487.60 o
-3 7 -5 36831.67 35874.78 580.91 o
-2 7 -5 13780.80 13949.30 287.56 o
-1 7 -5 572.49 475.74 96.46 o
0 7 -5 303.92 301.66 128.12 o
-3 8 -5 24958.68 24450.36 426.25 o
-2 8 -5 19210.75 18986.18 383.83 o
-1 8 -5 269.61 229.41 96.61 o
0 8 -5 2410.74 2347.46 214.41 o
-4 9 -5 2472.21 2276.30 155.25 o
-3 9 -5 1592.65 1750.35 146.67 o
-2 9 -5 25089.11 24110.01 455.64 o
-1 9 -5 594.99 532.03 107.45 o
0 9 -5 1645.40 1274.40 256.70 o
-4 10 -5 4324.92 3991.03 206.01 o
-3 10 -5 14544.78 14521.66 369.17 o
-2 10 -5 11915.92 11554.76 493.45 o
-1 10 -5 774.91 641.50 159.68 o
0 10 -5 34160.99 32844.64 1054.78 o
-5 11 -5 10054.20 10236.64 505.39 o
-4 11 -5 1294.67 1037.83 141.45 o
-3 11 -5 9069.20 8386.71 299.26 o
-2 11 -5 1125.18 1012.84 186.81 o
-1 11 -5 4859.86 5401.05 661.30 o
-5 12 -5 9439.11 9330.79 301.42 o
-4 12 -5 9804.62 9775.03 379.61 o
-3 12 -5 72.89 279.75 342.27 o
-6 13 -5 6782.98 6825.46 750.28 o
0 2 -4 24149.93 24129.97 608.40 o
-1 3 -4 42331.37 42796.27 411.61 o
0 3 -4 17457.03 17762.18 287.05 o
-2 4 -4 30703.54 31149.53 400.62 o
-1 4 -4 1528.18 1742.17 88.42 o
0 4 -4 18597.41 18775.07 699.30 o
-2 5 -4 47795.13 47496.77 536.36 o
-1 5 -4 2992.46 3194.48 110.30 o
0 5 -4 89239.63 86384.70 1311.67 o
-3 6 -4 15595.53 15292.79 410.17 o
-2 6 -4 95.88 113.77 68.10 o
-1 6 -4 6240.17 6327.02 166.49 o
0 6 -4 10571.17 11024.72 472.85 o
-3 7 -4 24181.72 24463.54 387.73 o
-2 7 -4 9166.62 9098.93 223.92 o
-1 7 -4 392.73 452.99 94.16 o
0 7 -4 33618.20 31702.36 631.36 o
-4 8 -4 8606.06 9091.02 361.93 o
-3 8 -4 9584.72 9703.57 245.68 o
-2 8 -4 26963.12 26897.64 402.46 o
-1 8 -4 11343.54 11147.68 261.90 o
0 8 -4 21989.44 21480.13 824.36 o
-4 9 -4 3279.82 3228.74 158.95 o
-3 9 -4 4080.64 3995.76 174.17 o
-2 9 -4 13842.61 12735.68 556.45 o
-1 9 -4 176.42 257.16 94.00 o
0 9 -4 18.18 -37.65 140.36 o
-5 10 -4 26706.63 26812.05 623.03 o
-4 10 -4 3470.76 3231.87 167.29 o
-3 10 -4 7591.42 7630.49 265.43 o
-2 10 -4 6167.85 5904.83 239.43 o
-1 10 -4 5285.53 5362.01 302.24 o
0 10 -4 32453.72 30040.36 991.58 o
-5 11 -4 3823.07 3727.88 174.55 o
-4 11 -4 1068.19 883.96 129.62 o
-3 11 -4 14296.81 13874.51 422.40 o
-2 11 -4 1578.95 1810.21 187.58 o
-1 11 -4 3591.00 3544.82 275.29 o
0 11 -4 809.09 824.18 269.23 o
-6 12 -4 617.99 608.37 163.45 o
-5 12 -4 6020.06 5804.21 238.73 o
-4 12 -4 7850.60 7660.92 332.20 o
-3 12 -4 8708.52 8446.56 358.76 o
-2 12 -4 12144.87 11726.32 933.04 o
-6 13 -4 7051.93 6966.24 321.15 o
-5 13 -4 4005.34 3624.58 249.91 o
-4 13 -4 368.62 274.94 369.53 o
-3 13 -4 8566.63 7594.97 787.15 o
0 2 -3 60369.10 61989.26 570.79 o
-1 3 -3 10093.61 10483.32 138.07 o
0 3 -3 42292.32 43731.60 1029.08 o
-1 4 -3 5448.38 5786.99 104.86 o
0 4 -3 15808.54 16461.72 303.18 o
-2 5 -3 108078.77 107354.21 1105.05 o
-1 5 -3 15516.27 16035.90 266.04 o
0 5 -3 10460.57 10581.72 267.01 o
-2 6 -3 3177.13 3382.40 129.41 o
-1 6 -3 14305.36 14030.91 407.57 o
0 6 -3 7867.25 8284.68 228.13 o
-3 7 -3 5790.59 5929.94 192.78 o
-2 7 -3 33074.53 34190.74 405.68 o
-1 7 -3 2395.53 2779.11 146.80 o
0 7 -3 58116.84 55459.65 959.72 o
-3 8 -3 29045.44 28674.38 400.78 o
-2 8 -3 2169.47 2444.18 132.36 o
-1 8 -3 518.39 596.56 83.59 o
0 8 -3 55608.36 53341.16 1338.51 o
-4 9 -3 20287.44 20471.88 358.94 o
-3 9 -3 3045.38 2965.02 151.51 o
-2 9 -3 5024.86 4646.25 231.70 o
-1 9 -3 3102.43 3066.93 197.93 o
0 9 -3 11399.68 11552.63 465.84 o
-4 10 -3 17719.04 17330.11 349.90 o
-3 10 -3 16324.94 16503.57 419.36 o
-2 10 -3 12287.53 12426.14 381.56 o
-1 10 -3 4694.18 4579.66 247.68 o
0 10 -3 2965.94 2743.05 333.84 o
-5 11 -3 21629.36 20925.03 372.68 o
-4 11 -3 2371.61 2145.91 149.84 o
-3 11 -3 1427.48 1152.86 157.58 o
-2 11 -3 1481.71 1594.42 178.41 o
-1 11 -3 2281.21 2623.12 216.31 o
0 11 -3 6196.56 6010.99 490.65 o
-5 12 -3 10108.75 9425.17 291.12 o
-4 12 -3 2291.85 2325.99 219.37 o
-3 12 -3 166.93 106.45 134.77 o
-2 12 -3 22687.25 22035.72 561.46 o
-1 12 -3 818.75 957.09 375.14 o
-6 13 -3 1476.31 1265.54 163.88 o
-5 13 -3 4946.48 4540.95 275.75 o
-4 13 -3 1812.77 1320.91 203.44 o
-3 13 -3 24147.90 24193.63 941.91 o
-2 13 -3 371.59 330.25 371.13 o
-1 2 -2 3089.99 3199.54 108.26 o
0 2 -2 178607.53 160574.95 3093.42 o
-1 3 -2 35808.11 36386.59 425.62 o
0 3 -2 1735.25 2011.52 103.79 o
-2 4 -2 19498.05 19883.73 220.98 o
-1 4 -2 6855.59 7299.89 111.16 o
0 4 -2 38124.64 39971.90 745.79 o
-2 5 -2 36574.39 36974.55 451.96 o
-1 5 -2 3256.89 3426.13 91.95 o
0 5 -2 77786.75 76066.91 484.88 o
-3 6 -2 14712.80 14497.03 520.64 o
-2 6 -2 7044.03 7253.00 144.11 o
-1 6 -2 29088.57 29666.92 389.41 o
0 6 -2 5484.37 5362.65 185.32 o
-3 7 -2 14757.27 14811.42 260.92 o
-2 7 -2 645.70 739.56 79.41 o
-1 7 -2 1279.92 1349.41 84.91 o
0 7 -2 26962.38 25980.97 513.24 o
-4 8 -2 3499.63 3536.85 233.76 o
-3 8 -2 64897.24 64134.20 714.85 o
-2 8 -2 19099.21 19663.37 307.36 o
-1 8 -2 7426.64 7619.87 201.03 o
0 8 -2 12654.37 12995.57 490.18 o
-4 9 -2 11983.47 11848.19 271.75 o
-3 9 -2 1235.08 1238.06 113.36 o
-2 9 -2 7586.46 7553.84 210.21 o
-1 9 -2 5786.51 5763.27 231.08 o
0 9 -2 2445.51 2291.03 237.45 o
-5 10 -2 11614.79 11134.98 367.51 o
-4 10 -2 3274.33 3086.32 161.70 o
-3 10 -2 45884.43 44932.95 556.16 o
-2 10 -2 928.18 856.44 139.83 o
-1 10 -2 10070.52 10842.82 329.97 o
0 10 -2 26397.26 26246.96 730.31 o
-5 11 -2 1038.47 1046.51 113.27 o
-4 11 -2 628.69 669.10 111.46 o
-3 11 -2 13833.63 14224.38 530.44 o
-2 11 -2 1038.16 1039.24 156.10 o
-1 11 -2 1608.73 1603.36 181.25 o
0 11 -2 10663.73 10961.11 617.70 o
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-4 12 -2 5366.02 5044.14 273.97 o
-3 12 -2 3815.88 3863.39 249.20 o
-2 12 -2 8925.85 9251.30 373.27 o
-1 12 -2 900.57 724.39 169.57 o
-6 13 -2 7936.00 7693.58 393.58 o
-5 13 -2 569.49 392.92 174.41 o
-4 13 -2 2433.78 2203.91 217.23 o
-3 13 -2 4543.02 4525.62 315.87 o
-2 13 -2 3589.09 3080.07 442.87 o
-1 13 -2 3988.65 4940.94 658.10 o
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0 1 -1 771.17 1205.66 73.29 o
0 2 -1 16688.59 16871.38 522.87 o
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0 3 -1 152725.47 143056.59 1710.39 o
-1 4 -1 3776.79 4065.57 78.06 o
0 4 -1 4628.27 4848.76 116.91 o
-2 5 -1 17539.50 18582.74 220.25 o
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-2 7 -1 74078.89 74854.21 982.02 o
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-3 8 -1 11723.31 11584.55 212.29 o
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0 8 -1 12438.54 12683.58 769.57 o
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-3 9 -1 208.75 239.38 86.14 o
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0 9 -1 15276.18 14755.96 524.67 o
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0 11 -1 10388.31 10112.88 494.99 o
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-1 3 0 1015.65 1305.85 65.37 o
0 3 0 59375.93 58803.00 1157.52 o
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-3 6 0 176612.84 169390.11 1116.75 o
-2 6 0 2442.95 2712.74 75.06 o
-1 6 0 3321.29 3367.45 85.48 o
0 6 0 2002.60 2035.52 104.87 o
-3 7 0 3293.17 3265.37 109.53 o
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-1 7 0 5.17 90.03 51.37 o
0 7 0 472.24 511.27 96.28 o
-4 8 0 951.85 1026.71 116.56 o
-3 8 0 1218.20 1347.06 91.68 o
-2 8 0 2.80 20.52 59.20 o
-1 8 0 101690.00 100056.23 941.33 o
0 8 0 3755.77 3864.06 223.08 o
-4 9 0 255.08 381.77 73.58 o
-3 9 0 1956.01 2132.46 108.13 o
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0 9 0 894.84 646.79 172.77 o
-5 10 0 228307.39 215437.23 2508.44 o
-4 10 0 1737.23 1846.10 140.98 o
-3 10 0 769.38 909.75 118.10 o
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