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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/9/00/95/9009502.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_9009502
loop_
_publ_author_name
'Razmara, M. F.'
'Henderson, C. M. B.'
'Pattrick, R. A. D.'
'Bell, A. M. T.'
'Charnock, L. M.'
_publ_section_title
;The crystal chemistry of the solid solution series between chalcostibite
 (CuSbS2) and emplectite (CuBiS2) Note: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              79
_journal_page_last               88
_journal_paper_doi               10.1180/minmag.1997.061.404.08
_journal_volume                  61
_journal_year                    1997
_chemical_formula_sum            'Bi Cu S2'
_chemical_name_mineral           Emplectite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.1413
_cell_length_b                   3.9191
_cell_length_c                   14.524
_cell_formula_units_Z            4
_cell_volume                     349.569
_database_code_amcsd             0014523
_exptl_crystal_density_diffrn    6.397
_cod_original_formula_sum        'Cu Bi S2'
_cod_database_code               9009502
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu 0.74600 0.75000 0.17210 0.01140
Bi 0.23180 0.25000 0.06380 0.00633
S1 0.64700 0.25000 0.10200 0.01267
S2 0.12900 0.75000 0.18200 0.01267
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014523