#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$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
loop_
_publ_author_name
'Duc Tran Qui'
'Vincent, H'
'Bertaut, E F'
'Qui Vu Van'
_publ_section_title
;
Etude par Diffraction Neutronique de la Structure Nucleaire et
Magnetique de l'Orthothiogermanate de Manganese
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              641
_journal_page_last               645
_journal_paper_doi               10.1016/0038-1098(69)90583-3
_journal_volume                  7
_journal_year                    1969
_chemical_formula_structural     'Mn2 Ge S4'
_chemical_formula_sum            'Ge Mn2 S4'
_chemical_name_systematic        'Manganese tetrathiogermanate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.796
_cell_length_b                   7.454
_cell_length_c                   6.034
_cell_volume                     575.5
_refine_ls_R_factor_all          0.06
_cod_database_code               1008109
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn2+ 2.000
Ge4+ 4.000
S2- -2.000
