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#$Date: 2015-10-14 19:27:36 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539885.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_1539885
loop_
_publ_author_name
'Bronger, W.'
'Hendriks, U.'
'Mueller, P.'
_publ_section_title
;
 Struktur und magnetische Eigenschaften von Cs2 Mn3 S4 und Cs2 Co3 S4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              95
_journal_page_last               105
_journal_volume                  559
_journal_year                    1988
_chemical_formula_sum            'Cs2 Mn1.71 S4 Zn1.29'
_chemical_name_systematic        'Cs2 (Mn.57 Zn.43)3 S4'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.855
_cell_length_b                   11.324
_cell_length_c                   13.944
_cell_volume                     924.515
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bronger_ZAACAB_1988_40.cif
_cod_data_source_block           Cs2Mn1.71S4Zn1.29
_cod_original_cell_volume        924.5154
_cod_database_code               1539885
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-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
Mn1 Mn+2 0.5 0 0.25 0.49 0.0
Mn2 Mn+2 0 0.213 0.25 0.63 0.0
Cs1 Cs+1 0.233 0.121 0 1 0.0
Zn1 Zn+2 0.5 0 0.25 0.51 0.0
S1 S-2 0.232 0.352 0.153 1 0.0
Zn2 Zn+2 0 0.213 0.25 0.37 0.0