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#$Date: 2010-01-22 14:33:52 +0200 (Fri, 22 Jan 2010) $
#$Revision: 960 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104656.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_2104656_Fobs
loop_
_publ_author_name
'Johnstone, Russell D. L.'
'Lennie, Alistair R.'
'Parsons, Simon'
'Pidcock, Elna'
'Warren, John E.'
_publ_contact_author_email       r.d.l.johnstone@sms.ed.ac.uk
_publ_contact_author_name        'Russell D. L. Johnstone '
_publ_section_title
;
 Comparison of the effects of pressure on three layered hydrates: a
 partially successful attempt to predict a high-pressure phase
 transition
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              731
_journal_page_last               748
_journal_volume                  65
_journal_year                    2009
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             09-02-18
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.4885(14)
_cell_length_b                   17.834(7)
_cell_length_c                   5.0983(13)
_[local]_cod_data_source_file    ws5073CAM6.8GPasup19.hkl
_[local]_cod_data_source_block   CAM6.8GPa
#BEGIN Tags that were not found in dictionaries:
_oxford_structure_analysis_title 'cyac06 in P2(1)2(1)2(1)'
#END Tags that were not found in dictionaries
loop_
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5 2 3 772.06 1071.71 473.93 <
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0 6 3 41.88 74.90 198.39 <
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3 7 3 1051.35 957.91 242.48 o
4 7 3 316.32 965.53 176.35 <
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