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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/39/9013935.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_9013935
loop_
_publ_author_name
'Hull, S.'
'Keen, D. A.'
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 9.28 GPa
 Note: rocksalt structure
 Note: known as CuBr-VI
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     CuBr
_chemical_formula_sum            'Br Cu'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.1701
_cell_length_b                   5.1701
_cell_length_c                   5.1701
_cell_formula_units_Z            4
_cell_volume                     138.196
_database_code_amcsd             0015195
_diffrn_ambient_pressure         9.28e+06
_exptl_crystal_density_diffrn    6.895
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Cu Br'
_cod_database_code               9013935
_amcsd_formula_title             CuBr
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.00000 0.00000 0.00000 0.01684
Br 0.50000 0.50000 0.50000 0.00975
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015195
