#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/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
loop_
_publ_author_name
'Zachariasen, W H'
_publ_section_title
;
The Crystal Structure of Germanium Disulphide
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              618
_journal_page_last               619
_journal_paper_doi               10.1063/1.1749915
_journal_volume                  4
_journal_year                    1936
_chemical_formula_structural     'Ge S2'
_chemical_formula_sum            'Ge S2'
_chemical_name_systematic        'Germanium sulfide'
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   11.66(5)
_cell_length_b                   22.34(10)
_cell_length_c                   6.86(3)
_cell_volume                     1786.9
_exptl_crystal_density_meas      3.01
_cod_database_code               1010520
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ge4+ 4.000
S2- -2.000
