#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/66/9016611.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9016611
loop_
_publ_author_name
'Kamb, B.'
'Davis, B. L.'
_publ_section_title
;
 Ice VII, the densest form of ice
 Note: T = 223 K, P = 2.5 GPa
;
_journal_name_full
'Proceedings of the National Academy of Sciences'
_journal_page_first              1433
_journal_page_last               1439
_journal_paper_doi               10.1073/pnas.52.6.1433
_journal_volume                  52
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H2 O'
_chemical_name_mineral           'Ice VII'
_space_group_IT_number           224
_symmetry_space_group_name_Hall  'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.30
_cell_length_b                   3.30
_cell_length_c                   3.30
_cell_formula_units_Z            2
_cell_volume                     35.937
_database_code_amcsd             0018369
_exptl_crystal_density_diffrn    1.665
_cod_original_sg_symbol_H-M      'P n 3 m'
_cod_original_formula_sum        'O H2'
_cod_database_code               9016611
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,1/2-x,1/2+y
-y,z,-x
1/2+x,1/2-y,1/2+z
-z,x,-y
1/2+y,1/2-z,1/2+x
-x,y,-z
x,-z,-y
1/2-z,1/2+y,1/2+x
y,-x,-z
1/2-x,1/2+z,1/2+y
z,-y,-x
1/2-y,1/2+x,1/2+z
x,z,y
1/2-z,1/2-y,1/2-x
y,x,z
1/2-x,1/2-z,1/2-y
z,y,x
1/2-y,1/2-x,1/2-z
1/2+z,1/2+x,1/2-y
-y,-z,x
1/2+x,1/2+y,1/2-z
-z,-x,y
1/2+y,1/2+z,1/2-x
-x,-y,z
1/2-z,1/2+x,1/2+y
y,-z,-x
1/2-x,1/2+y,1/2+z
z,-x,-y
1/2-y,1/2+z,1/2+x
x,-y,-z
-x,z,-y
1/2+z,1/2-y,1/2+x
-y,x,-z
1/2+x,1/2-z,1/2+y
-z,y,-x
1/2+y,1/2-x,1/2+z
-x,-z,y
1/2+z,1/2+y,1/2-x
-y,-x,z
1/2+x,1/2+z,1/2-y
-z,-y,x
1/2+y,1/2+x,1/2-z
1/2-z,1/2-x,1/2-y
y,z,x
1/2-x,1/2-y,1/2-z
z,x,y
1/2-y,1/2-z,1/2-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
O 0.00000 0.00000 0.00000 1.00000
H 0.17000 0.17000 0.17000 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018369
