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#$Date: 2015-07-13 20:12:38 +0200 (lun 13 de jul de 2015) $
#$Revision: 150691 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/84/1528452.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_1528452
loop_
_publ_author_name
'Doussier, C.'
'Leone, P.'
'Moelo, Y.'
_publ_section_title
;
 Synthesis and crystal structures of four new bromo-chalcogenides: Mn Sb
 S2 Br, Mn Bi Se2 Br and two allotropic forms of Mn Sb Se2 Br. Crystal
 chemistry of the Mn Pn Q2 X family (Pn: Sb, Bi; Q: S, Se; X: Cl, Br, I)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              652
_journal_page_last               659
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'Br2 Mn2 Sb2 Se4'
_chemical_name_systematic        'Mn2 Sb2 Se4 Br2'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.046
_cell_length_b                   25.994
_cell_length_c                   3.9689
_cell_volume                     1036.422
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Doussier_SSSCFJ_2006_1145.cif
_cod_data_source_block           Br2Mn2Sb2Se4
_cod_database_code               1528452
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-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
Se3 Se-2 0.7498 0.2149 0.5 1 0.0
Sb2 Sb+3 0.6893 0.1473 0 1 0.0
Se1 Se-2 0.5555 0.0703 0.5 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
Br2 Br-1 0.0686 0.1776 0.5 1 0.0
Se2 Se-2 0.2566 0.0392 0 1 0.0
Mn3 Mn+2 0.5083 0.2582 0 1 0.0
Se4 Se-2 0.4498 0.185 0 1 0.0
Br1 Br-1 0.9233 0.0651 0 1 0.0
Sb1 Sb+3 0.3149 0.1072 0.5 1 0.0
Mn2 Mn+2 0.5 0 0 1 0.0
