#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538526.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_1538526
loop_
_publ_author_name
'Ribes, M.'
'Maurin, M.'
_publ_section_title
;
 Etude radiochristallographique des thiogermanates de baryum
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              75
_journal_page_last               86
_journal_volume                  7
_journal_year                    1970
_chemical_formula_sum            'Ba2 Ge S4'
_space_group_IT_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                   8.959
_cell_length_b                   6.885
_cell_length_c                   12.218
_cell_volume                     753.639
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Ribes_RVCMA8_1970_708.cif
_cod_data_source_block           Ba2Ge1S4
_cod_original_cell_volume        753.6394
_cod_original_formula_sum        'Ba2 Ge1 S4'
_cod_database_code               1538526
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba2 Ba+2 -0.023 0.25 -0.33 1 0.0
Ba1 Ba+2 0.627 0.25 0.416 1 0.0
S3 S-2 0.344 -0.032 0.37 1 0.0
S2 S-2 0.329 0.25 0.587 1 0.0
Ge1 Ge+4 0.218 0.25 0.431 1 0.0
S1 S-2 -0.026 0.25 0.404 1 0.0
