#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/9/9007405.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_9007405
_chemical_name 'Bismuthinite'
loop_
_publ_author_name
'Lundegaard L F'
'Makovicky E'
'Boffa-Ballaran T'
'Balic-Zunic T'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 32
_journal_year 2005
_journal_page_first 578
_journal_page_last 584
_publ_section_title
;
 Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and
 Locality: synthetic
 Sample: P = 9.18 GPa
;
_chemical_formula_sum 'Bi2 S3'
_cell_length_a 10.634
_cell_length_b 3.8423
_cell_length_c 10.463
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 427.508
_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
Bi1  -0.00560   0.25000   0.67480   0.01550
Bi2   0.32530   0.25000   0.46770   0.01710
S1   0.05290   0.25000   0.12960   0.01300
S2   0.37240   0.25000   0.06020   0.01500
S3   0.22230   0.25000   0.79630   0.01300