#------------------------------------------------------------------------------
#$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $
#$Revision: 88054 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/89/2018956.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_2018956_Fobs
loop_
_publ_author_name
'Jennene Boukharrata, Nefla'
'Ducl\`ere, Jean-Ren\'e'
'Laval, Jean-Paul'
'Thomas, Philippe'
_publ_section_title
;
 A new oxyfluorotellurate(IV), InTe~2~O~5~F
;
_journal_coeditor_code           FN3131
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              460
_journal_page_last               462
_journal_volume                  69
_journal_year                    2013
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.9640
_cell_length_b                   11.3000
_cell_length_c                   13.0880
_exptl_crystal_F_000             1616.00
_reflns_d_resolution_high        0.7706
_[local]_cod_data_source_file    fn3131Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Compound X'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            926.15
_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'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, 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
2 0 0 15730.81 15526.47 198.39 o
4 0 0 196039.86 200562.31 1490.90 o
6 0 0 33340.61 33848.29 481.09 o
8 0 0 12926.48 13848.53 931.53 o
3 1 0 30979.59 31809.97 256.83 o
5 1 0 48633.66 49180.44 408.13 o
7 1 0 9653.96 10153.30 240.08 o
9 1 0 2982.18 1009.73 1089.36 o
2 2 0 169211.98 169635.06 780.31 o
4 2 0 1272.48 1407.46 100.29 o
6 2 0 133140.42 138238.45 850.88 o
8 2 0 6405.92 6754.51 654.50 o
1 3 0 69028.55 68718.12 413.78 o
3 3 0 50944.56 51839.23 406.01 o
5 3 0 5202.62 5367.96 173.95 o
7 3 0 149.97 483.14 178.87 o
0 4 0 64541.26 65760.99 603.86 o
2 4 0 15502.73 15156.11 196.76 o
4 4 0 379.74 687.86 147.83 o
6 4 0 51994.16 52651.96 498.57 o
8 4 0 13333.04 11558.32 980.33 o
1 5 0 940.25 1597.51 121.07 o
3 5 0 63071.16 62616.59 455.20 o
5 5 0 6415.59 7035.03 275.94 o
7 5 0 37078.52 38242.95 620.31 o
0 6 0 347124.69 361094.34 2707.77 o
2 6 0 713.66 602.97 147.08 o
4 6 0 111824.13 109429.15 795.92 o
6 6 0 2447.92 2284.89 243.20 o
8 6 0 668.71 1972.41 1286.25 o
1 7 0 23971.67 24226.24 321.90 o
3 7 0 8170.94 8473.65 217.20 o
5 7 0 41058.31 41407.09 531.41 o
7 7 0 2062.55 1926.61 710.25 o
0 8 0 27.25 651.57 247.67 o
2 8 0 16801.93 17724.50 311.96 o
4 8 0 7202.47 7382.99 235.81 o
6 8 0 43264.11 42818.93 707.44 o
1 9 0 99361.59 100828.17 783.88 o
3 9 0 96498.58 97046.57 786.97 o
5 9 0 152.32 932.74 480.81 o
7 9 0 206.41 819.00 1062.78 o
0 10 0 8498.85 8645.75 403.43 o
2 10 0 144.65 206.07 217.27 o
4 10 0 1428.11 1419.69 304.45 o
6 10 0 1779.53 1993.76 908.97 o
1 11 0 17.99 283.38 292.03 o
3 11 0 76575.74 76736.88 983.94 o
5 11 0 49182.09 48726.94 1002.11 o
0 12 0 50.42 -172.80 474.30 o
2 12 0 1465.39 1514.57 527.93 o
4 12 0 4079.76 3195.41 716.61 o
1 13 0 16915.73 16914.35 719.24 o
3 13 0 1590.71 1325.91 679.24 o
0 14 0 14281.95 15910.00 1672.57 o
2 14 0 650.71 -70.09 879.75 o
2 0 1 393439.00 393635.72 1711.31 o
4 0 1 7650.11 7531.86 134.22 o
6 0 1 8251.65 8278.87 239.60 o
8 0 1 869.18 453.03 537.89 o
-9 1 1 13789.79 13244.89 1025.48 o
-7 1 1 32160.12 32127.11 509.17 o
-5 1 1 42694.39 42461.38 360.79 o
-3 1 1 14720.58 13805.31 171.26 o
3 1 1 15214.04 14422.30 151.62 o
5 1 1 42292.17 42462.27 340.84 o
7 1 1 32148.90 32817.95 521.63 o
9 1 1 13390.34 13255.09 976.99 o
-8 2 1 53028.33 53517.28 1368.91 o
-6 2 1 2662.69 3095.62 171.42 o
-4 2 1 126161.74 128367.41 737.04 o
-2 2 1 2068.17 2148.51 86.17 o
2 2 1 2117.92 2181.24 75.58 o
4 2 1 124999.19 126391.41 692.13 o
6 2 1 2172.99 3002.22 195.86 o
8 2 1 52109.11 51239.23 891.46 o
-7 3 1 4533.03 5109.98 280.43 o
-5 3 1 3989.66 4166.05 174.25 o
-3 3 1 196683.36 197771.84 1067.80 o
-1 3 1 180527.25 180734.88 850.58 o
1 3 1 181757.91 181986.94 852.50 o
3 3 1 198529.05 203384.61 1024.97 o
5 3 1 3916.09 4260.70 184.24 o
7 3 1 4651.88 4775.44 297.96 o
-8 4 1 41314.94 42779.67 1691.51 o
-6 4 1 23575.81 23803.96 373.53 o
-4 4 1 48677.54 47678.34 494.21 o
-2 4 1 13114.34 12595.35 199.53 o
0 4 1 11382.01 11911.96 174.57 o
2 4 1 11747.22 11345.61 182.90 o
4 4 1 49367.71 48811.39 406.05 o
6 4 1 23082.33 23637.22 339.54 o
8 4 1 41353.40 42121.65 1135.31 o
-7 5 1 8615.57 8535.67 383.80 o
-5 5 1 82229.43 83745.77 786.50 o
-3 5 1 47085.20 46867.82 418.34 o
-1 5 1 5800.76 5947.86 152.13 o
1 5 1 5258.12 5350.17 160.29 o
3 5 1 47571.49 47113.91 374.33 o
5 5 1 82813.61 84171.91 636.52 o
7 5 1 8443.47 8085.64 373.60 o
-8 6 1 10389.36 9903.84 1127.08 o
-6 6 1 13333.78 13663.29 359.61 o
-4 6 1 27008.63 26452.62 392.44 o
-2 6 1 144000.14 145511.92 881.21 o
0 6 1 196324.77 199907.91 1087.91 o
2 6 1 143745.11 145972.95 864.49 o
4 6 1 27493.83 27443.34 349.93 o
6 6 1 13200.86 12614.95 302.22 o
8 6 1 10122.22 10791.23 895.98 o
-7 7 1 22208.22 22103.86 853.71 o
-5 7 1 2056.30 1880.92 255.17 o
-3 7 1 32963.19 32568.74 397.88 o
-1 7 1 8909.81 9104.40 223.37 o
1 7 1 9079.76 8993.18 215.03 o
3 7 1 32652.59 32157.57 381.49 o
5 7 1 2305.93 2627.41 248.51 o
7 7 1 22343.27 22539.26 821.59 o
-6 8 1 56339.65 56588.77 1035.51 o
-4 8 1 42969.63 42879.77 510.87 o
-2 8 1 24992.22 24972.94 378.36 o
0 8 1 34957.35 34915.18 410.14 o
2 8 1 24951.13 24981.09 353.27 o
4 8 1 41733.24 41734.77 454.80 o
6 8 1 55947.08 55203.35 791.73 o
-7 9 1 3231.57 1900.72 1001.22 o
-5 9 1 13854.75 14077.00 580.92 o
-3 9 1 22930.26 23913.61 460.60 o
-1 9 1 102839.32 102634.24 897.06 o
1 9 1 103337.72 104582.02 796.96 o
3 9 1 23204.37 22923.66 377.82 o
5 9 1 14127.35 14536.03 428.65 o
7 9 1 3322.19 3990.13 957.33 o
-6 10 1 14947.85 13786.36 831.01 o
-4 10 1 2656.86 2345.05 344.48 o
-2 10 1 5218.90 5391.76 281.34 o
0 10 1 13540.92 13383.48 327.36 o
2 10 1 4510.95 5183.29 287.15 o
4 10 1 2639.58 2510.03 329.48 o
6 10 1 14505.49 13503.47 710.93 o
-5 11 1 31284.05 31235.58 872.38 o
-3 11 1 13590.07 14487.30 727.56 o
-1 11 1 11929.69 12121.43 356.22 o
1 11 1 11808.56 12724.27 373.25 o
3 11 1 12881.37 13818.60 612.57 o
5 11 1 31447.40 31395.89 886.52 o
-4 12 1 26207.05 26236.80 1142.90 o
-2 12 1 2261.51 2290.55 523.96 o
0 12 1 93078.71 93685.40 1141.56 o
2 12 1 2061.43 2302.66 417.49 o
4 12 1 26129.98 26823.07 793.15 o
-3 13 1 11628.23 9128.75 733.30 o
-1 13 1 9588.27 11026.77 694.89 o
1 13 1 9176.31 10412.34 597.37 o
3 13 1 11954.73 12244.44 791.40 o
-2 14 1 19167.71 17325.55 940.21 o
0 14 1 13231.06 14042.38 1174.87 o
2 14 1 19650.86 19349.89 938.16 o
2 0 2 11320.35 11762.23 133.58 o
4 0 2 202.21 130.44 79.90 o
6 0 2 13809.37 13811.90 278.49 o
8 0 2 1787.92 2364.20 467.47 o
-7 1 2 45868.28 45224.57 521.94 o
-5 1 2 67475.15 67201.96 523.20 o
-3 1 2 66905.08 66406.90 480.71 o
3 1 2 65837.27 64314.48 372.48 o
5 1 2 67845.58 67694.09 548.60 o
7 1 2 46046.54 46714.32 589.36 o
-8 2 2 15999.35 16362.24 707.35 o
-6 2 2 23858.05 24014.18 382.71 o
-4 2 2 1656.86 1829.62 147.05 o
-2 2 2 12479.08 12636.10 154.11 o
2 2 2 12707.18 12871.72 160.37 o
4 2 2 1540.73 1604.37 116.82 o
6 2 2 23286.51 23776.03 401.01 o
8 2 2 15861.93 16198.91 552.23 o
-7 3 2 4611.91 4628.55 329.58 o
-5 3 2 43898.97 43198.39 444.92 o
-3 3 2 96109.09 96063.98 610.02 o
-1 3 2 364287.88 371595.53 1747.63 o
1 3 2 362799.63 361531.84 1466.82 o
3 3 2 96918.20 97426.42 625.26 o
5 3 2 44609.77 45270.53 393.37 o
7 3 2 4551.25 5123.88 331.85 o
-8 4 2 1909.32 1065.09 927.55 o
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0 4 2 1302.46 1298.12 97.08 o
2 4 2 18876.59 19425.92 213.19 o
4 4 2 54838.18 54430.64 485.73 o
6 4 2 26924.70 27321.15 332.69 o
8 4 2 2194.01 2512.56 730.23 o
-7 5 2 77129.88 74476.70 1235.02 o
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-3 5 2 52994.18 53172.52 493.86 o
-1 5 2 32814.23 33644.13 312.28 o
1 5 2 32012.44 32835.61 308.61 o
3 5 2 51788.41 51974.39 390.81 o
5 5 2 40095.77 41152.93 452.99 o
7 5 2 76211.73 76176.79 863.10 o
-8 6 2 2093.24 2136.77 1138.51 o
-6 6 2 2264.90 1651.10 537.33 o
-4 6 2 29297.22 29608.71 440.85 o
-2 6 2 209191.84 213683.38 1164.17 o
0 6 2 2279.39 2463.69 139.13 o
2 6 2 206897.45 210182.77 1034.97 o
4 6 2 29569.68 28809.74 349.92 o
6 6 2 2730.01 2723.94 245.26 o
8 6 2 2130.64 3008.28 981.13 o
-7 7 2 62.33 1760.55 743.23 o
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3 7 2 8051.38 8002.76 207.39 o
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2 8 2 14425.06 14593.64 294.08 o
4 8 2 94455.27 93970.02 692.69 o
6 8 2 3905.12 4552.98 383.79 o
-7 9 2 3032.95 1845.26 950.60 o
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-3 9 2 21783.01 21569.38 428.10 o
-1 9 2 18959.24 18927.88 353.95 o
1 9 2 19868.24 20134.31 407.35 o
3 9 2 22564.48 23021.56 370.98 o
5 9 2 4983.45 4470.82 369.92 o
7 9 2 2818.89 3395.27 824.66 o
-6 10 2 6036.33 5470.40 1054.00 o
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0 10 2 2561.42 2651.60 246.91 o
2 10 2 23181.68 22634.24 406.73 o
4 10 2 17492.94 17549.35 424.51 o
6 10 2 6245.91 6310.57 809.88 o
-5 11 2 164.63 -125.99 704.09 o
-3 11 2 12058.58 12472.96 540.94 o
-1 11 2 5814.96 6033.38 379.88 o
1 11 2 5912.84 5172.14 372.98 o
3 11 2 12309.00 12849.65 438.78 o
5 11 2 182.59 502.71 610.66 o
-4 12 2 7761.87 8841.41 615.81 o
-2 12 2 157074.58 156505.27 2097.97 o
0 12 2 643.51 1448.23 450.81 o
2 12 2 158479.52 158378.38 1508.44 o
4 12 2 7715.19 7724.91 623.30 o
-3 13 2 2221.43 2927.01 833.75 o
-1 13 2 2277.43 3331.35 594.67 o
1 13 2 2431.54 2692.10 546.65 o
3 13 2 2207.35 1786.50 544.52 o
-2 14 2 7194.10 7718.07 936.98 o
0 14 2 313.37 1029.28 739.91 o
2 14 2 6960.96 6674.45 812.16 o
2 0 3 261606.48 254250.86 1063.93 o
4 0 3 58750.84 59707.25 453.83 o
6 0 3 2251.48 2290.01 167.62 o
8 0 3 4559.23 5442.03 576.79 o
-7 1 3 47012.91 46997.50 544.34 o
-5 1 3 43935.34 44104.23 433.96 o
-3 1 3 22118.52 22347.78 278.51 o
-1 1 3 53611.06 52090.28 345.12 o
1 1 3 54426.25 53241.59 337.42 o
3 1 3 22088.24 21552.01 220.60 o
5 1 3 46453.08 46924.32 436.72 o
7 1 3 46550.18 47534.32 671.44 o
-8 2 3 34267.03 34041.24 832.47 o
-6 2 3 9636.00 9678.15 319.62 o
-4 2 3 116173.93 116250.34 740.09 o
-2 2 3 26037.67 25737.36 233.66 o
0 2 3 7640.24 7815.21 106.33 o
2 2 3 25329.04 25637.96 228.24 o
4 2 3 119131.77 120191.00 644.89 o
6 2 3 10132.62 10726.97 308.67 o
8 2 3 34439.15 34897.98 687.67 o
-7 3 3 4071.08 4314.83 300.49 o
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-3 3 3 71218.36 70555.05 490.03 o
-1 3 3 167318.97 163572.22 813.34 o
1 3 3 170374.23 167101.33 831.38 o
3 3 3 71210.29 71009.45 454.54 o
5 3 3 24485.29 25249.04 292.12 o
7 3 3 3945.24 4400.83 318.71 o
-8 4 3 23599.04 23633.29 1226.20 o
-6 4 3 7176.17 7675.03 344.55 o
-4 4 3 26792.81 26689.24 346.96 o
-2 4 3 5334.21 5513.75 138.13 o
0 4 3 23029.27 23168.51 248.12 o
2 4 3 6396.91 6537.63 143.42 o
4 4 3 26738.34 26432.41 314.47 o
6 4 3 7687.23 7744.18 243.52 o
8 4 3 23648.02 22661.96 697.00 o
-7 5 3 14120.21 14225.98 559.67 o
-5 5 3 61175.82 60838.29 664.07 o
-3 5 3 4228.79 3659.29 198.74 o
-1 5 3 26892.63 27424.94 309.67 o
1 5 3 26480.89 26369.00 268.70 o
3 5 3 4185.09 4406.57 139.25 o
5 5 3 61928.58 61942.09 541.83 o
7 5 3 13940.40 13621.36 420.64 o
-8 6 3 4103.77 2083.83 1343.40 o
-6 6 3 2493.62 3205.05 359.40 o
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0 6 3 124582.45 126077.93 823.00 o
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4 6 3 34398.20 34450.72 364.25 o
6 6 3 2517.17 2495.28 232.00 o
8 6 3 4215.25 3930.85 999.12 o
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-3 7 3 11738.09 12472.74 304.76 o
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3 7 3 11914.83 11781.81 269.17 o
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4 8 3 43017.77 42480.70 511.39 o
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1 9 3 121508.66 121037.15 930.49 o
3 9 3 14994.93 14912.47 355.77 o
5 9 3 38831.13 38079.23 775.81 o
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-4 10 3 14754.06 15564.85 558.60 o
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2 10 3 5988.39 5526.30 273.67 o
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6 10 3 26516.02 25593.74 1053.62 o
-5 11 3 35854.99 35898.76 1013.92 o
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-1 11 3 32827.05 32470.18 597.09 o
1 11 3 32896.40 32819.32 543.06 o
3 11 3 2512.17 3226.31 383.10 o
5 11 3 36024.23 35691.03 1040.14 o
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1 3 4 13234.35 12431.20 172.32 o
3 3 4 54357.70 54257.45 389.98 o
5 3 4 8265.39 8632.40 195.40 o
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-8 4 4 10261.02 10129.33 1018.64 o
-6 4 4 51067.54 50150.32 670.10 o
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-2 4 4 43543.95 43417.53 395.12 o
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