#------------------------------------------------------------------------------
#$Date: 2016-04-02 23:01:45 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180905 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/46/2104652.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_2104652_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                   6.7622(2)
_cell_length_b                   18.7945(19)
_cell_length_c                   5.2343(2)
_oxford_structure_analysis_title 'cyac02 in P2(1)2(1)2(1)'
_cod_data_source_file            ws5073CAM1.2GPasup15.hkl
_cod_data_source_block           CAM1.2GPa
loop_
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0 2 1 7.69 17.99 12.02 <
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2 0 7 1333.25 1227.70 220.37 o
3 0 7 5703.64 5579.27 200.34 o
0 1 7 982.26 1124.54 110.19 o
1 1 7 5579.43 5364.09 130.22 o
2 1 7 195.33 203.08 83.14 o
3 1 7 3146.32 3087.48 160.27 o
0 2 7 600.21 591.02 100.17 o
1 2 7 3832.48 4001.73 190.32 o
2 2 7 1273.15 1222.27 87.15 o
3 2 7 748.97 847.12 92.16 o
0 3 7 6356.74 6399.30 110.19 o
1 3 7 4550.69 4469.41 180.30 o
2 3 7 94.56 189.21 45.08 o
3 3 7 1587.68 1540.96 130.22 o
0 4 7 0.82 65.90 54.09 <
1 4 7 4329.32 4211.48 150.25 o
2 4 7 6.89 147.09 57.10 <
3 4 7 1793.03 2106.83 370.63 o
0 5 7 143.14 65.33 65.11 o
1 5 7 133.93 374.20 57.10 o
2 5 7 2935.96 3014.20 120.20 o
0 6 7 4448.52 4341.49 260.44 o
1 6 7 3296.57 3281.56 240.41 o
2 6 7 623.65 588.19 110.19 o
0 7 7 1027.74 1052.12 380.64 o
1 7 7 5220.82 4894.58 150.25 o
2 7 7 602.72 465.20 190.32 o
0 8 7 -169.79 0.15 110.19 <
1 8 7 653.80 592.33 92.16 o
0 9 7 514.87 416.58 210.36 o
1 9 7 435.34 394.32 81.14 o