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#$Date: 2016-04-02 22:03:46 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180818 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/49/2014900.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_2014900_Fobs
loop_
_publ_author_name
'Palatinus, Luk\'a\<s'
'Sch\"onleber, Andreas'
'van Smaalen, Sander'
_publ_section_title
;
 The twofold superstructure of titanium(III) oxybromide at <i>T</i> =
 17.5 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i47
_journal_page_last               i48
_journal_volume                  61
_journal_year                    2005
_cod_data_source_file            sk1825Isup2.hkl
_cod_data_source_block           I
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_intensity_meas
_refln_intensity_calc
_refln_intensity_sigma
_refln_observed_status
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0 3 0 -1.5 0.7 1.3 <
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1 3 0 3.6 3.7 0.5 o
2 3 0 0.6 0.3 0.4 <
3 3 0 2.1 1.9 0.4 o
0 4 0 4035.0 4268.4 163.2 o
0 5 0 1.2 0.8 0.6 <
1 5 0 6.5 6.7 0.6 o
2 4 0 3344.3 3308.6 134.0 o
2 5 0 0.6 0.5 0.4 <
3 5 0 4.5 4.1 0.5 o
4 4 0 1556.0 1584.6 62.4 o
4 5 0 0.1 0.3 0.6 <
0 7 0 0.9 0.7 1.1 <
1 6 0 411.3 405.8 16.5 o
1 7 0 8.5 8.6 0.8 o
2 7 0 1.1 0.6 0.5 <
3 6 0 239.0 238.8 9.6 o
3 7 0 7.2 5.9 0.7 o
0 8 0 1667.1 1804.2 66.9 o
0 9 0 0.8 0.7 1.1 <
1 9 0 9.4 9.5 0.8 o
2 8 0 1505.2 1523.5 60.4 o
0 0 1 149.2 138.2 6.0 o
0 1 1 0.0 0.0 0.6 <
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1 1 1 -0.2 0.0 0.7 <
2 1 1 -0.1 0.0 0.3 <
0 2 1 512.9 471.5 20.6 o
0 3 1 10.7 10.5 1.1 o
1 2 1 1101.7 1140.7 44.2 o
1 3 1 0.5 0.4 0.5 <
2 2 1 319.1 326.7 12.8 o
2 3 1 6.3 6.4 0.5 o
3 2 1 619.4 586.1 24.8 o
3 3 1 0.4 0.2 0.4 <
4 3 1 2.8 2.8 0.4 o
0 4 1 21.8 19.0 1.1 o
0 5 1 7.5 7.0 0.6 o
1 4 1 2094.9 2032.5 84.0 o
1 5 1 -0.7 0.1 0.5 <
2 4 1 6.1 5.2 0.6 o
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3 5 1 -0.8 0.1 0.5 <
4 4 1 1.8 1.9 0.6 <
4 5 1 2.2 2.7 0.7 o
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1 7 1 0.2 0.5 0.6 <
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2 7 1 11.6 12.4 0.8 o
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3 7 1 1.3 0.4 0.6 <
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0 8 1 -0.8 0.6 1.0 <
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1 9 1 -0.6 0.2 0.7 <
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0 -1 2 -0.2 0.5 0.6 <
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0 1 2 0.1 0.5 0.7 <
1 0 2 352.7 351.2 14.1 o
1 1 2 -0.6 0.8 0.8 <
2 0 2 134.3 143.4 5.4 o
2 1 2 -0.1 0.3 0.4 <
3 1 2 0.8 0.4 0.3 <
0 2 2 4886.6 4671.6 195.9 o
0 3 2 2.4 2.6 0.7 o
1 2 2 440.1 467.0 17.7 o
1 3 2 7.3 6.9 0.5 o
2 2 2 3098.3 3130.6 124.1 o
2 3 2 1.3 1.5 0.4 o
3 2 2 288.3 273.1 11.6 o
3 3 2 5.2 3.5 0.5 o
4 2 2 1317.6 1350.4 52.9 o
4 3 2 0.2 0.6 0.4 <
0 4 2 155.9 149.3 6.3 o
0 5 2 1.7 2.0 0.4 o
1 4 2 239.4 229.7 9.7 o
1 5 2 4.1 4.2 0.5 o
2 4 2 129.6 126.9 5.3 o
2 5 2 0.8 1.5 0.4 <
3 4 2 144.7 137.5 5.9 o
3 5 2 2.4 2.6 0.5 o
4 4 2 69.7 67.1 2.9 o
4 5 2 -0.3 0.8 0.7 <
0 6 2 2147.3 2047.3 86.1 o
0 7 2 1.2 2.9 0.7 <
1 6 2 282.0 271.1 11.4 o
1 7 2 10.5 10.8 0.7 o
2 6 2 1607.5 1613.6 64.5 o
2 7 2 2.3 2.4 0.4 o
3 6 2 187.1 177.0 7.5 o
3 7 2 7.4 7.4 0.8 o
4 6 2 901.0 912.4 36.2 o
0 8 2 94.2 89.7 4.0 o
0 9 2 2.8 2.5 0.7 o
1 8 2 120.3 119.4 4.9 o
1 9 2 5.7 7.1 0.7 o
2 8 2 70.8 71.2 3.0 o
0 -1 3 3.9 5.3 0.7 o
0 0 3 1643.0 1555.4 65.8 o
0 1 3 3.3 5.4 0.8 o
1 -1 3 0.6 1.4 0.3 <
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1 1 3 1.0 1.4 0.5 <
2 0 3 918.5 956.6 36.8 o
2 1 3 2.7 3.3 0.4 o
3 0 3 77.5 76.1 3.1 o
3 1 3 0.6 0.8 0.4 <
4 1 3 1.6 1.5 0.5 o
0 2 3 1000.5 1004.1 40.2 o
0 3 3 0.0 0.5 0.4 <
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1 3 3 0.0 0.1 0.3 <
2 2 3 577.0 595.7 23.2 o
2 3 3 0.4 0.4 0.4 <
3 2 3 1731.9 1652.5 69.4 o
3 3 3 -0.6 0.1 0.5 <
4 2 3 268.9 251.1 10.8 o
4 3 3 0.7 0.2 0.4 <
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0 4 3 996.2 941.8 40.0 o
0 5 3 12.4 12.1 0.8 o
1 4 3 95.1 92.1 3.9 o
1 5 3 4.0 3.7 0.5 o
2 4 3 689.3 705.4 27.7 o
2 5 3 8.6 9.1 0.7 o
3 4 3 59.3 57.6 2.5 o
3 5 3 2.9 2.4 0.5 o
4 4 3 348.0 338.0 14.0 o
4 5 3 4.9 5.1 0.7 o
0 6 3 384.8 362.7 15.5 o
0 7 3 3.7 3.6 0.6 o
1 6 3 1637.0 1589.9 65.6 o
1 7 3 0.3 0.8 0.5 <
2 6 3 280.7 283.5 11.3 o
2 7 3 2.3 3.0 0.5 o
3 6 3 1003.5 1022.9 40.3 o
3 7 3 2.0 0.7 0.6 o
0 8 3 445.7 440.9 17.9 o
0 9 3 12.4 12.5 0.9 o
1 8 3 45.3 42.3 2.0 o
1 9 3 3.0 4.1 0.7 o
2 8 3 346.6 351.3 14.0 o
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0 -1 4 4.8 5.6 0.4 o
0 0 4 1473.9 1503.4 59.1 o
0 1 4 5.1 5.7 0.5 o
1 -1 4 5.5 6.1 0.4 o
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1 1 4 5.7 6.3 0.5 o
2 -1 4 3.4 3.5 0.3 o
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2 1 4 3.5 3.6 0.4 o
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3 1 4 3.0 3.1 0.5 o
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4 1 4 1.9 1.6 0.5 o
0 2 4 485.9 498.8 19.5 o
0 3 4 2.9 2.9 0.4 o
1 2 4 31.8 35.1 1.4 o
1 3 4 0.7 0.6 0.4 <
2 2 4 396.4 405.8 15.9 o
2 3 4 2.0 2.1 0.5 o
3 2 4 11.2 10.9 0.7 o
3 3 4 0.4 0.3 0.5 <
4 2 4 227.3 210.9 9.1 o
4 3 4 1.6 1.0 0.6 <
0 4 4 972.0 941.4 39.0 o
0 5 4 8.4 8.8 0.7 o
1 4 4 1059.7 1074.6 42.5 o
1 5 4 12.8 11.7 0.7 o
2 4 4 700.7 707.1 28.1 o
2 5 4 6.2 6.7 0.6 o
3 4 4 675.5 675.9 27.1 o
3 5 4 7.8 7.3 0.7 o
4 4 4 387.0 385.9 15.6 o
4 5 4 3.9 4.0 0.7 o
0 6 4 360.3 345.6 14.5 o
0 7 4 3.2 4.3 0.7 o
1 6 4 6.9 6.4 0.6 o
1 7 4 1.0 1.7 0.5 <
2 6 4 275.1 276.3 11.1 o
2 7 4 3.6 3.4 0.6 o
3 6 4 7.6 6.6 0.8 o
3 7 4 1.9 1.4 0.7 <
0 8 4 438.5 431.6 17.7 o
0 9 4 8.7 9.0 0.8 o
1 8 4 548.5 545.0 22.1 o
2 8 4 354.9 366.9 14.3 o
0 -2 5 837.3 849.8 33.7 o
1 -2 5 13.0 13.5 0.7 o
0 -1 5 1.4 1.6 0.3 o
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0 1 5 1.6 1.6 0.4 o
1 -1 5 2.9 3.4 0.3 o
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1 1 5 2.8 3.3 0.4 o
2 -1 5 1.3 1.3 0.3 o
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2 1 5 1.5 1.3 0.3 o
3 -1 5 2.0 1.9 0.3 o
3 0 5 983.5 989.0 39.4 o
3 1 5 2.3 1.8 0.5 o
4 0 5 668.7 679.5 26.9 o
4 1 5 1.2 0.7 0.5 <
0 2 5 871.5 849.7 35.0 o
0 3 5 3.8 3.7 0.4 o
1 2 5 13.6 13.5 0.7 o
1 3 5 7.3 7.4 0.6 o
2 2 5 581.8 610.0 23.4 o
2 3 5 2.3 2.8 0.5 o
3 2 5 10.2 11.0 0.7 o
3 3 5 5.2 4.6 0.5 o
4 2 5 295.0 287.5 11.9 o
4 3 5 2.3 1.6 0.6 o
0 4 5 1311.0 1313.4 52.5 o
0 5 5 1.1 2.0 0.5 <
1 4 5 1277.6 1268.8 51.2 o
1 5 5 3.4 3.1 0.5 o
2 4 5 969.2 1011.8 38.9 o
2 5 5 2.1 1.6 0.6 o
3 4 5 756.0 773.2 30.4 o
3 5 5 2.3 2.1 0.6 o
4 4 5 561.2 562.8 22.6 o
0 6 5 475.5 463.8 19.1 o
0 7 5 4.3 4.5 0.6 o
1 6 5 17.1 15.4 0.9 o
1 7 5 8.3 10.0 0.7 o
2 6 5 361.9 365.3 14.6 o
2 7 5 3.8 3.9 0.6 o
3 6 5 6.8 6.6 0.8 o
0 8 5 639.1 637.9 25.7 o
1 8 5 615.3 618.7 24.7 o
2 8 5 520.3 542.3 20.9 o
0 -2 6 35.9 36.1 1.7 o
1 -2 6 1589.3 1612.5 63.7 o
2 -2 6 28.5 28.7 1.3 o
3 -2 6 1026.6 998.3 41.3 o
0 -1 6 5.5 5.3 0.5 o
0 0 6 594.6 573.1 23.9 o
0 1 6 5.4 5.2 0.5 o
1 -1 6 2.4 2.1 0.3 o
1 0 6 645.6 647.1 25.9 o
1 1 6 2.2 2.0 0.5 o
2 -1 6 4.1 3.9 0.3 o
2 0 6 441.5 453.0 17.7 o
2 1 6 3.7 3.9 0.5 o
3 -1 6 1.0 1.2 0.4 <
3 0 6 350.0 357.7 14.1 o
3 1 6 2.0 1.2 0.5 o
4 -1 6 3.9 2.0 0.7 o
4 0 6 225.0 222.7 9.1 o
4 1 6 2.3 2.0 0.6 o
0 2 6 40.2 36.1 1.7 o
0 3 6 13.3 13.4 0.8 o
1 2 6 1575.2 1619.7 63.2 o
1 3 6 5.3 6.0 0.6 o
2 2 6 28.0 28.6 1.3 o
2 3 6 10.1 10.3 0.7 o
3 2 6 989.8 998.7 39.7 o
3 3 6 4.1 3.6 0.5 o
4 2 6 19.3 21.0 1.1 o
4 3 6 6.2 5.8 0.7 o
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0 5 6 1.1 2.1 0.6 <
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1 5 6 -0.2 0.1 0.6 <
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2 5 6 1.5 1.6 0.6 <
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3 5 6 1.0 0.1 0.7 <
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0 6 6 20.7 20.6 1.1 o
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2 6 6 16.3 19.2 1.0 o
2 7 6 13.3 13.5 0.9 o
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0 -3 7 2.6 2.4 0.6 o
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0 1 7 1.3 1.9 0.6 <
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2 -1 7 1.2 1.5 0.4 o
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2 1 7 1.3 1.5 0.5 <
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4 1 7 0.7 0.7 0.7 <
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0 3 7 1.8 2.4 0.6 <
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1 3 7 9.9 9.5 0.7 o
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2 3 7 1.8 1.9 0.5 o
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3 3 7 6.3 6.1 0.7 o
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0 5 7 1.3 1.1 0.5 <
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2 5 7 0.6 0.9 0.6 <
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3 5 7 9.9 8.7 0.8 o
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0 7 7 1.5 2.0 0.7 <
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1 7 7 9.2 10.2 0.8 o
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0 -3 8 2.2 2.3 0.7 o
0 -2 8 207.5 205.0 8.5 o
1 -3 8 0.7 0.3 0.5 <
1 -2 8 1043.3 1012.8 41.9 o
2 -3 8 1.9 1.8 0.5 o
2 -2 8 159.3 158.6 6.5 o
0 -1 8 10.2 10.7 0.6 o
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0 1 8 10.3 11.0 0.8 o
1 -1 8 0.8 1.1 0.5 <
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1 1 8 0.0 1.1 0.6 <
2 -1 8 8.4 8.6 0.5 o
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3 -1 8 1.3 0.7 0.5 <
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3 1 8 0.9 0.7 0.6 <
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0 3 8 3.1 2.2 0.6 o
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1 3 8 0.5 0.3 0.6 <
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2 3 8 1.3 1.8 0.6 <
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3 3 8 -0.8 0.2 0.7 <
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1 5 8 0.9 1.6 0.7 <
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0 3 9 1.3 2.3 0.7 <
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2 3 9 1.1 1.8 0.7 <
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2 5 9 1.0 1.2 0.7 <
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