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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/28/7222853.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_7222853
loop_
_publ_author_name
'Krebs, B.'
'Mueller, A.'
'Kindler, E.'
_publ_section_title
;
 Kristallstruktur von Cs2 Mo O S3
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              222
_journal_page_last               222
_journal_volume                  25
_journal_year                    1970
_chemical_formula_sum            'Cs2 Mo O S3'
_chemical_name_systematic        'Cs2 (Mo O S3)'
_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                   9.771
_cell_length_b                   7.242
_cell_length_c                   12.223
_cell_volume                     864.919
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Krebs_ZENBAX_1970_656.cif
_cod_data_source_block           Cs2Mo1O1S3
_cod_original_cell_volume        864.9188
_cod_original_formula_sum        'Cs2 Mo1 O1 S3'
_cod_database_code               7222853
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
S2 S-2 0.0283 0.25 0.0951 1 0.0
Cs2 Cs+1 -0.0438 0.25 0.8097 1 0.0
Cs1 Cs+1 0.1693 0.25 0.3736 1 0.0
O1 O-2 0.2562 0.25 -0.0958 1 0.0
S1 S-2 0.3422 0.0057 0.1179 1 0.0
Mo1 Mo+6 0.2438 0.25 0.0499 1 0.0
