#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$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
_chemical_name 'Emplectite'
loop_
_publ_author_name
'Razmara M F'
'Henderson C M B'
'Pattrick R A D'
'Bell A M T'
'Charnock L M'
_journal_name_full "Mineralogical Magazine"
_journal_volume 61
_journal_year 1997
_journal_page_first 79
_journal_page_last 88
_publ_section_title
;
 The crystal chemistry of the solid solution series between chalcostibite (CuSbS
 Note: synthetic
;
_chemical_formula_sum 'Cu Bi S2'
_cell_length_a 6.1413
_cell_length_b 3.9191
_cell_length_c 14.524
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 349.569
_symmetry_space_group_name_H-M 'P n m a'
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_Uiso_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