#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/05/1010520.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_1010520
_chemical_name_systematic          'Germanium sulfide'
_chemical_formula_structural       'Ge S2'
_chemical_formula_sum              'Ge S2'
_publ_section_title
;
The Crystal Structure of Germanium Disulphide
;
loop_
_publ_author_name                  'Zachariasen, W H'
_journal_name_full                 'Journal of Chemical Physics'
_journal_coden_ASTM                JCPSA6
_journal_volume                    4
_journal_year                      1936
_journal_page_first                618
_journal_page_last                 619
_cell_length_a                     11.66(5)
_cell_length_b                     22.34(10)
_cell_length_c                     6.86(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1786.9
_cell_formula_units_Z              24
_exptl_crystal_density_meas        3.01
_symmetry_space_group_name_H-M     'F d d 2'
_symmetry_Int_Tables_number        43
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/4-x,1/4+y,1/4+z'
  '1/4+x,1/4-y,1/4+z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  '1/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,3/4+z'
  '3/4-x,3/4+y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ge4+   4.000
  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
  Ge1   Ge4+   8 a 0. 0. 0. 1.  0 d
  Ge2   Ge4+  16 b 0.125 0.139 0. 1.  0 d
  S1    S2-   16 b 0.022 0.08 0.183 1.  0 d
  S2    S2-   16 b 0.152 -0.014 -0.183 1.  0 d
  S3    S2-   16 b 0.062 0.125 -0.278 1.  0 d
_cod_database_code 1010520