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#$Date: 2022-09-14 16:21:52 +0100 (Wed, 14 Sep 2022) $
#$Revision: 277833 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010649.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_1010649
loop_
_publ_author_name
'Zachariasen, W. H.'
_publ_section_title
;
The crystal lattice of germano sulphide, Ge S
;
_journal_coden_ASTM              PHRVAO
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_page_first              917
_journal_page_last               922
_journal_volume                  40
_journal_year                    1932
_chemical_formula_structural     'Ge S'
_chemical_formula_sum            'Ge S'
_chemical_name_systematic        'Germanium(II) sulfide'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n (z,x,y+1/4)'
_space_group_name_H-M_alt        'P n m a (c,a-1/4,b)'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_H-M   'P n m a (c,a-1/4,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.29(1)
_cell_length_b                   10.42(3)
_cell_length_c                   3.64(1)
_cell_volume                     162.7
_cod_original_sg_symbol_H-M      'P b n m S'
_cod_database_code               1010649
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,1/2-z
1/2+x,1/2-y,1/2+z
x,y,-z
1/2-x,1/2+y,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 Ge0 4 c 0.167 -0.125 0. 1. 0 d
S1 S0 4 c 0.111 0.111 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ge0 0.000
S0 0.000