#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011253.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_1011253
_chemical_name_systematic          'Tin sulfide'
_chemical_name_mineral             'Herzenbergite'
_chemical_compound_source          'synthetic, precipitated from solution'
_chemical_formula_structural       'Sn S'
_chemical_formula_sum              'S Sn'
_publ_section_title
;
Ergebnisse der Strukturbestimmung komplexer Sulfide. I: SnS und PbSnS2
;
loop_
_publ_author_name                  'Hofmann, W'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    92
_journal_year                      1935
_journal_page_first                161
_journal_page_last                 173
_cell_length_a                     3.98(2)
_cell_length_b                     4.33(2)
_cell_length_c                     11.18(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       192.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P m c n'
_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'
  '1/2+x,-y,-z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sn2+   2.000
  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
  Sn1   Sn2+   4 c 0.25 0.115 0.118 1.  0 d
  S1    S2-    4 c 0.75 0.522 0.15 1.  0 d