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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/55/1525581.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_1525581
loop_
_publ_author_name
'Arai, M.'
'Sakuma, T.'
_publ_section_title
;
 Crystal structure of beta-(Cu Br Te)
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              144
_journal_page_last               147
_journal_volume                  70
_journal_year                    2001
_chemical_formula_sum            'Br Cu Te'
_chemical_name_systematic        'Cu Br Te'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            96
_cell_length_a                   23.22
_cell_length_b                   23.22
_cell_length_c                   14.17
_cell_volume                     7640.016
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Arai_JUPSAU_2001_1750.cif
_cod_data_source_block           Br1Cu1Te1
_cod_original_formula_sum        'Br1 Cu1 Te1'
_cod_database_code               1525581
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
-x,-y+1/2,-z+1/2
x-1/4,y+1/4,-z+1/2
-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
x+1/2,y,z+1/2
-x+3/4,-y+1/4,z+1/2
x+1/2,-y+1/4,-z+3/4
-x+3/4,y,-z+3/4
-x+1/2,-y,-z+1/2
x+1/4,y-1/4,-z+1/2
-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,z-1/4
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
Cu2 Cu+1 0.125 0.125 0.625 1 0.0
Br3 Br-1 0.0612 0.0612 0.8944 1 0.0
Cu6 Cu+1 0.0305 0.1767 0.4722 1 0.0
Te3 Te 0.318 0.0832 0.8976 1 0.0
Cu4 Cu+1 0.125 0.125 0.4722 1 0.0
Te2 Te 0.318 0.0832 0.5642 1 0.0
Cu1 Cu+1 0.125 0.125 0.125 1 0.0
Br2 Br-1 0.0612 0.0612 0.561 1 0.0
Cu5 Cu+1 0 0.125 0.125 1 0.0
Te1 Te 0.318 0.0832 0.2312 1 0.0
Br1 Br-1 0.0612 0.0612 0.228 1 0.0
Cu3 Cu+1 0.125 0.125 0.3056 1 0.0
