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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/8/10/39/8103981.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_8103981
loop_
_publ_author_name
'Thiele, G.'
'Armbruster, M.'
_publ_section_title
;
 Crystal structure of thallium tetrabromoferrate(III), TlFeBr4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              689
_journal_page_last               689
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'Br4 Fe Tl'
_chemical_name_systematic        'Tl (Fe Br4)'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.773
_cell_length_b                   10.275
_cell_length_c                   10.191
_cell_volume                     813.930
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Thiele_ZEKRDZ_1995_1834.cif
_cod_data_source_block           Br4Fe1Tl1
_cod_original_cell_volume        813.9304
_cod_original_formula_sum        'Br4 Fe1 Tl1'
_cod_database_code               8103981
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z
x,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z
-x,y-1/2,z-1/2
x-1/2,-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
Br1 Br-1 0.3321 0.1798 0.0527 1 0.0
Br2 Br-1 0.01 0.0458 0.3183 1 0.0
Tl1 Tl+1 0.6708 0.25 0.25 1 0.0
Fe1 Fe+3 0.25 0 0.1828 1 0.0
