#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011154.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_1011154
_chemical_name_systematic          'Antimony trisulfide'
_chemical_name_mineral             'Stibnite'
_chemical_compound_source          'from Rezbanya'
_chemical_formula_structural       'Sb2 S3'
_chemical_formula_sum              'S3 Sb2'
_publ_section_title
;
Die Struktur der Minerale der Antimonitgruppe.
;
loop_
_publ_author_name                  'Hofmann, W'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    86
_journal_year                      1933
_journal_page_first                225
_journal_page_last                 245
_cell_length_a                     11.20(2)
_cell_length_b                     11.28(2)
_cell_length_c                     3.83(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       483.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.66
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sb3+   3.000
  S2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Sb1   Sb3+   4 c 0.328(2) 0.031(2) 0.25 1.  0 d
  Sb2   Sb3+   4 c 0.039(2) 0.149(2) 0.75 1.  0 d
  S1    S2-    4 c 0.883(6) 0.047(6) 0.25 1.  0 d
  S2    S2-    4 c 0.439(6) 0.125(6) 0.75 1.  0 d
  S3    S2-    4 c 0.194(6) 0.208(6) 0.25 1.  0 d
_cod_database_code 1011154