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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/98/9009855.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_9009855
loop_
_publ_author_name
'Heyding, R. D.'
'Murray, R. M.'
_publ_section_title
;Crystal structures of Cu1.8Se, Cu3Se2, alpha- and gamma=CuSe, CuSe2, and
 CuSe2II Locality: synthetic
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              841
_journal_page_last               848
_journal_paper_doi               10.1139/v76-122
_journal_volume                  54
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu1.798 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                   5.765
_cell_length_b                   5.765
_cell_length_c                   5.765
_cell_formula_units_Z            4
_cell_volume                     191.601
_database_code_amcsd             0012163
_exptl_crystal_density_diffrn    6.698
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9009855
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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1/2+z,-x,1/2+y
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1/2+x,1/2-y,z
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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 0.64700 0.03166
Cu2 0.33333 0.33333 0.33333 0.06300 0.03166
Se 0.00000 0.00000 0.00000 1.00000 0.02533
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012163
