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#$Date: 2015-07-13 22:49:45 +0300 (Mon, 13 Jul 2015) $
#$Revision: 151103 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/86/1528620.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_1528620
loop_
_publ_author_name
'Kamb, W.B.'
'Datta, S.K.'
_publ_section_title
;
 Crystal structures of the high-pressure froms of ice: Ice III
;
_journal_name_full               'Nature (London)'
_journal_page_first              140
_journal_page_last               141
_journal_volume                  187
_journal_year                    1960
_chemical_formula_sum            'H2 O'
_chemical_name_systematic        'H2 O'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   6.8
_cell_length_b                   6.8
_cell_length_c                   6.8
_cell_volume                     314.432
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Kamb_NATUAS_1960_305.cif
_cod_data_source_block           H2O1
_cod_chemical_formula_sum_orig   'H2 O1'
_cod_database_code               1528620
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-z+1/2
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
O2 O-2 0.392 0.392 0 1 0.0
O1 O-2 0.095 0.3 0.29 1 0.0