#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533512.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_1533512
loop_
_publ_author_name
'Sidey, V.I.'
'Kun, S.V.'
'Solomon, A.M.'
'Zubaka, O.V.'
'Peresh, E.Yu.'
_publ_section_title
;
 X-ray powder diffraction studies of Tl2 Te Br6 and Tl2 Te I6
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              115
_journal_page_last               120
_journal_volume                  367
_journal_year                    2004
_chemical_formula_sum            'Br6 Te Tl2'
_chemical_name_systematic        'Tl2 (Te Br6)'
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.468
_cell_length_b                   7.468
_cell_length_c                   10.682
_cell_volume                     595.746
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Sidey_JALCEU_2004_1392.cif
_cod_data_source_block           Br6Te1Tl2
_cod_original_cell_volume        595.7461
_cod_original_formula_sum        'Br6 Te1 Tl2'
_cod_database_code               1533512
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x-1/2,y-1/2,z-1/2
-y-1/2,-x-1/2,z-1/2
x-1/2,-y-1/2,z-1/2
y-1/2,x-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 0 0.255 1 0.0
Br2 Br-1 0.2292 0.2883 0 1 0.0
Te1 Te+4 0 0 0 1 0.0
Tl1 Tl+1 0 0.5 0.25 1 0.0
