#------------------------------------------------------------------------------
#$Date: 2008-01-26 14:05:32 +0100 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009993.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_9009993
_chemical_name 'Proustite'
loop_
_publ_author_name
'Allen S'
_journal_name_full "Phase Transition"
_journal_volume 6
_journal_year 1985
_journal_page_first 1
_journal_page_last 24
_publ_section_title
;
 Phase transitions in proustite I. Structural studies
 Sample: T = 300 K
 Note: calculated Ag-S bondlengths do not match those reported
;
_chemical_formula_sum 'Ag3 As S3'
_cell_length_a 10.825
_cell_length_b 10.825
_cell_length_c 8.704
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 883.294
_symmetry_space_group_name_H-M 'R 3 c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ag   0.24380   0.30350   0.23110   0.08815
As   0.00000   0.00000   0.00000   0.02964
S   0.21270   0.09250   0.37600   0.03280