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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/1/52/61/1526152.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_1526152
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 La S2 Sb'
_chemical_name_systematic        'La 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                 104.09
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.785
_cell_length_b                   9.236
_cell_length_c                   17.372
_cell_volume                     1367.127
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gout_JSSCBI_2001_1546.cif
_cod_data_source_block           Br2La1S2Sb1
_cod_original_formula_sum        'Br2 La1 S2 Sb1'
_cod_database_code               1526152
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
Br2 Br-1 0.0776 0.8724 0.6321 1 0.0
Br1 Br-1 0.5549 0.8753 0.6274 1 0.0
Sb2 Sb+3 0.7304 0.0446 0.9536 1 0.0
La2 La+3 0.8776 0.8699 0.75546 1 0.0
Br3 Br-1 0.1579 0.6756 0.8348 1 0.0
Sb1 Sb+3 0.2731 0.1602 0.55396 1 0.0
S3 S-2 0.6632 0.0655 0.8117 1 0.0
Br4 Br-1 0.8385 0.5607 0.6593 1 0.0
La1 La+3 0.3861 0.8649 0.76335 1 0.0
S4 S-2 0.527 0.8507 0.9481 1 0.0
S1 S-2 0.0734 0.3516 0.552 1 0.0
S2 S-2 0.3394 0.166 0.696 1 0.0
