#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/84/1528448.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_1528448
loop_
_publ_author_name
'Doussier, C.'
'Andre, G.'
'Moelo, Y.'
'Leone, P.'
'Janod, E.'
_publ_section_title
;
 Magnetic study of two isotypic manganese chloro-sulfides: Mn Sb S2 Cl and
 the new compound Mn Bi S2 Cl
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              486
_journal_page_last               491
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Bi Cl Mn S2'
_chemical_name_systematic        'Mn Bi S2 Cl'
_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                   9.502
_cell_length_b                   3.8802
_cell_length_c                   12.305
_cell_volume                     453.681
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Doussier_JSSCBI_2006_917.cif
_cod_data_source_block           Bi1Cl1Mn1S2
_cod_original_cell_volume        453.6812
_cod_original_formula_sum        'Bi1 Cl1 Mn1 S2'
_cod_database_code               1528448
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
Bi1 Bi+3 0.6976 0.25 0.5327 1 0.0
Cl1 Cl-1 0.067 0.25 0.6109 1 0.0
S2 S-2 0.4503 0.25 0.6178 1 0.0
S1 S-2 0.7516 0.75 0.6775 1 0.0
Mn1 Mn+2 0.0069 0.75 0.737 1 0.0
