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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/9/01/52/9015206.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_9015206
loop_
_publ_author_name
'Yamamoto, K.'
'Kashida, S.'
_publ_section_title
;
 X-ray study of the average structures of Cu2Se and Cu1.8S in the
 room temperature and the high temperature phases
 Note: Sample: Cu2Se (high) Model 2, T = 433 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              202
_journal_page_last               211
_journal_paper_doi               10.1016/0022-4596(91)90289-T
_journal_volume                  93
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu1.95 Se'
_chemical_name_mineral           Berzelianite
_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                   5.787
_cell_length_b                   5.787
_cell_length_c                   5.787
_cell_formula_units_Z            4
_cell_volume                     193.803
_database_code_amcsd             0019149
_exptl_crystal_density_diffrn    6.953
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015206
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Cu1 0.25000 0.25000 0.25000 0.47000 0.05700
Cu2 0.31500 0.31500 0.31500 0.12000 0.08300
Cu3 0.50000 0.00000 0.00000 0.05000 0.17700
Se 0.00000 0.00000 0.00000 1.00000 0.04500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019149
