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#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014013.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_9014013
loop_
_publ_author_name
'Heyding, R. D.'
'Despault, G. J. G.'
_publ_section_title
;
 The copper/arsenic system and the copper arsenide minerals
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              2477
_journal_page_last               2481
_journal_volume                  38
_journal_year                    1960
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As0.111 Cu0.889'
_chemical_name_mineral           Algodonite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.588
_cell_length_b                   2.588
_cell_length_c                   4.226
_cell_volume                     24.513
_database_code_amcsd             0018469
_exptl_crystal_density_diffrn    8.781
_[local]_cod_chemical_formula_sum_orig '(Cu.889 As.111)'
_cod_database_code               9014013
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu 0.33333 0.66667 0.25000 0.88900
As 0.33333 0.66667 0.25000 0.11100