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#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009502.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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_volume                  61
_journal_year                    1997
_chemical_formula_sum            'Cu Bi S2'
_chemical_name_mineral           Emplectite
_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_volume                     349.569
loop_
_symmetry_equiv_pos_as_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