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#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209429.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_7209429
loop_
_publ_author_name
'Schwarzmann, E.'
'Freire Erdbruegger, C.'
'Jentsch, D.'
'Jones, P.G.'
_publ_section_title
;
 Preparation and Crystal Structure of (Te Br3)(Au Br4) (Br2)0.5 a Compound
 with "Bromine of Crystallization"
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (42,1987-)
;
_journal_page_first              1553
_journal_page_last               1555
_journal_volume                  42
_journal_year                    1987
_chemical_formula_sum            'Au Br8 Te'
_chemical_name_systematic        '(Te Br3) (Au Br4) (Br2).5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.48
_cell_angle_beta                 73.34
_cell_angle_gamma                82.86
_cell_formula_units_Z            2
_cell_length_a                   7.936
_cell_length_b                   8.992
_cell_length_c                   9.959
_cell_volume                     675.319
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            gold_97.cif
_cod_data_source_block           Au1Br8Te1
_cod_original_cell_volume        675.3192
_cod_original_formula_sum        'Au1 Br8 Te1'
_cod_database_code               7209429
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
Te1 Te+4 0.6098 0.2581 0.7261 1 0.0
Br7 Br-1 0.4074 0.1926 0.9544 1 0.0
Br3 Br-1 0.0755 -0.1061 0.1625 1 0.0
Br2 Br-1 -0.0727 0.3255 0.4606 1 0.0
Br8 Br -0.0794 0.412 0.0703 1 0.0
Br5 Br-1 0.3726 0.3229 0.6123 1 0.0
Br4 Br-1 -0.2849 0.1447 0.2726 1 0.0
Au1 Au+3 0.0021 0.1077 0.314 1 0.0
Br6 Br-1 0.6346 0.5147 0.7855 1 0.0
Br1 Br-1 0.2958 0.0809 0.3492 1 0.0
