#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/44/1534437.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_1534437
loop_
_publ_author_name
'Abriel, W.'
_publ_section_title
;
 Polymorphism and phase transitions of K2 Te Br6 (293-473 K)
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1419
_journal_page_last               1423
_journal_volume                  18
_journal_year                    1983
_chemical_formula_sum            'Br6 K2 Te'
_chemical_name_systematic        'K2 (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                   7.572
_cell_length_b                   7.572
_cell_length_c                   10.8
_cell_volume                     619.220
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Abriel_MRBUAC_1983_310.cif
_cod_data_source_block           Br6K2Te1
_cod_original_cell_volume        619.22
_cod_original_formula_sum        'Br6 K2 Te1'
_cod_database_code               1534437
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
Te1 Te+4 0 0 0 1 0.0
Br1 Br-1 0 0 0.2595 1 0.0
Br2 Br-1 0.217 0.282 0 1 0.0
K1 K+1 0 0.5 0.25 1 0.0
