#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/49/2104954.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_2104954_Fobs
loop_
_publ_author_name
'Johnstone, Russell D. L.'
'Allan, David'
'Lennie, Alistair'
'Pidcock, Elna'
'Valiente, Rafael'
'Rodr\'iguez, Fernando'
'Gonzalez, Jes\'us'
'Warren, John'
'Parsons, Simon'
_publ_contact_author_email       r.d.l.johnstone@sms.ed.ac.uk
_publ_contact_author_name        'Russell D. L. Johnstone '
_publ_section_title
;
 The effect of pressure on the crystal structure of bianthrone
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              226
_journal_page_last               237
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             09-05-25
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 109.780(6)
_cell_angle_gamma                90
_cell_length_a                   9.9825(11)
_cell_length_b                   7.8892(15)
_cell_length_c                   11.4879(9)
_oxford_structure_analysis_title 'bian02 in P2(1)/n'
_[local]_cod_data_source_file    gw50121.2GPasup3.hkl
_[local]_cod_data_source_block   1.2GPa
loop_
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2 0 0 14634.99 16538.57 304.47 o
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5 1 0 1506.13 507.95 314.62 o
6 1 0 3892.18 3687.79 202.98 o
7 1 0 1280.82 919.02 375.52 o
8 1 0 846.94 830.61 233.43 o
9 1 0 1700.99 1484.02 558.20 o
10 1 0 -30.45 0.03 588.65 <
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5 2 0 4828.94 4954.24 121.79 o
6 2 0 7418.99 7259.31 213.13 o
7 2 0 -215.16 328.81 172.53 <
8 2 0 593.21 272.81 416.11 <
9 2 0 -61.40 71.57 598.80 <
10 2 0 -521.66 26.47 284.17 <
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4 3 0 42544.98 38307.20 507.45 o
5 3 0 3094.46 3269.85 142.09 o
6 3 0 462.90 219.25 86.27 o
7 3 0 -188.57 124.20 243.58 <
8 3 0 -279.61 13.56 284.17 <
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3 4 0 1847.13 1789.19 294.32 o
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7 4 0 5644.92 5542.13 274.03 o
8 4 0 4641.18 4042.23 142.09 o
9 4 0 3172.61 3375.16 172.53 o
4 5 0 911.39 764.36 324.77 o
5 5 0 2276.44 1950.55 405.96 o
6 5 0 65.46 20.49 131.94 <
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8 5 0 49.36 201.51 192.83 <
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6 6 0 -401.90 7.12 487.16 <
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2 1 1 13021.28 12140.80 152.24 o
3 1 1 4312.35 4077.47 152.24 o
5 1 1 -104.74 263.54 172.53 <
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7 1 1 1482.78 1380.04 548.05 o
8 1 1 1409.71 1973.39 152.24 o
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10 1 1 338.98 390.08 517.60 <
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7 2 1 3451.71 3521.93 284.17 o
8 2 1 -3.19 6.19 284.17 <
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9 1 2 213.13 131.41 172.53 <
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1 2 2 3483.17 3708.18 142.09 o
2 2 2 556.47 484.06 55.82 o
3 2 2 159.14 481.12 83.22 <
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4 3 2 3744.00 3628.02 243.58 o
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