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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/15/1541579.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1541579
loop_
_publ_author_name
'Shallcross, F.V.'
'Carpenter, G.B.'
_publ_section_title
;
 X-ray diffraction study of the cubic phase of ice
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              782
_journal_page_last               784
_journal_volume                  26
_journal_year                    1957
_chemical_formula_sum            'H2 O'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.37
_cell_length_b                   6.37
_cell_length_c                   6.37
_cell_volume                     258.475
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Shallcross_JCPSA6_1957_117.cif
_cod_data_source_block           H2O1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-07-12
;
_cod_original_cell_volume        258.4749
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'H2 O1'
_cod_database_code               1541579
loop_
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-x,y,-z
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z,x,y
-x+1/4,z+1/4,y+1/4
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
O1 O-2 0 0 0 1 0.0 2
