#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/81/1008109.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_1008109
_chemical_name_systematic          'Manganese tetrathiogermanate'
_chemical_formula_structural       'Mn2 Ge S4'
_chemical_formula_sum              'Ge Mn2 S4'
_publ_section_title
;
Etude par Diffraction Neutronique de la Structure Nucleaire et
Magnetique de l'Orthothiogermanate de Manganese
;
loop_
_publ_author_name
  'Duc Tran Qui'
  'Vincent, H'
  'Bertaut, E F'
  'Qui Vu Van'
_journal_name_full                 'Solid State Communications'
_journal_coden_ASTM                SSCOA4
_journal_volume                    7
_journal_year                      1969
_journal_page_first                641
_journal_page_last                 645
_cell_length_a                     12.796
_cell_length_b                     7.454
_cell_length_c                     6.034
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       575.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_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,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mn2+   2.000
  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
  Mn1   Mn2+   4 a 0. 0. 0. 1.  0 d
  Mn2   Mn2+   4 c 0.266(3) 0.25 0.496(3) 1.  0 d
  Ge1   Ge4+   4 c 0.408(4) 0.25 0.089(6) 1.  0 d
  S1    S2-    8 d 0.322(10) 0.014(12) 0.243(12) 1.  0 d
  S2    S2-    4 c 0.405(10) 0.25 0.732(8) 1.  0 d
  S3    S2-    4 c 0.566(10) 0.25 0.257(12) 1.  0 d
_refine_ls_R_factor_all            0.06
_cod_database_code 1008109