#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/76/1527657.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_1527657
loop_
_publ_author_name
'Kniep, R.'
'Mootz, D.'
'Rabenau, A.'
_publ_section_title
;
 Zur kenntnis der Subhalogenide des Tellurs
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              17
_journal_page_last               38
_journal_volume                  422
_journal_year                    1976
_chemical_formula_sum            'Br Te2'
_chemical_name_systematic        'Te2 Br'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.921
_cell_length_b                   12.843
_cell_length_c                   4.005
_cell_volume                     767.480
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kniep_ZAACAB_1976_1.cif
_cod_data_source_block           Br1Te2
_cod_original_cell_volume        767.4798
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Br1 Te2'
_cod_database_code               1527657
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
Te1 Te 0.07484 0.23524 0.25 1 0.0
Br1 Br-1 0.05332 0.39704 0.75 1 0.0
Te2 Te 0.0889 0.07923 0.75 1 0.0
Te3 Te 0.28234 0.04396 0.75 1 0.0
Te4 Te 0.3212 0.19042 0.25 1 0.0
Br2 Br-1 0.3446 0.36382 0.75 1 0.0
