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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526150.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_1526150
loop_
_publ_author_name
'Gout, D.'
'Jobic, S.'
'Evain, M.'
'Brec, R.'
_publ_section_title
;
 New antimony lanthanide disulfide dibromides Ln Sb S2 Br2 (Ln = La, Ce):
 crystal and electronic structures and optical properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              218
_journal_page_last               226
_journal_volume                  158
_journal_year                    2001
_chemical_formula_sum            'Br2 Ce0.5 La0.5 S2 Sb'
_chemical_name_systematic        '(La0.5 Ce0.5) Sb S2 Br2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.3
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.739
_cell_length_b                   9.219
_cell_length_c                   17.41
_cell_volume                     1359.174
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gout_JSSCBI_2001_1545.cif
_cod_data_source_block           Br2Ce0.5La0.5S2Sb1
_cod_original_formula_sum        'Br2 Ce0.5 La0.5 S2 Sb1'
_cod_database_code               1526150
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
La1 La+3 0.3864 0.863 0.76355 0.5 0.0
Sb2 Sb+3 0.73 0.0437 0.9528 1 0.0
S3 S-2 0.6631 0.063 0.811 1 0.0
S2 S-2 0.3386 0.1642 0.6966 1 0.0
Br1 Br-1 0.5552 0.8729 0.6281 1 0.0
Br2 Br-1 0.0786 0.8706 0.6332 1 0.0
S1 S-2 0.0746 0.35 0.5525 1 0.0
Br3 Br-1 0.1578 0.6734 0.8346 1 0.0
La2 La+3 0.8777 0.8682 0.75564 0.5 0.0
S4 S-2 0.4748 0.3485 0.5534 1 0.0
Ce2 Ce+3 0.8777 0.8682 0.75564 0.5 0.0
Ce1 Ce+3 0.3864 0.863 0.76355 0.5 0.0
Br4 Br-1 0.8379 0.5588 0.6595 1 0.0
Sb1 Sb+3 0.2735 0.158 0.5543 1 0.0
