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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/7/22/36/7223694.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_7223694
loop_
_publ_author_name
'Milius, W.'
_publ_section_title
;
 Refinement of the crystal structures of Cu Te2 Br and Cu Te 2I
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              990
_journal_page_last               992
_journal_volume                  44
_journal_year                    1989
_chemical_formula_sum            'Br Cu Te2'
_chemical_name_systematic        'Cu Te2 Br'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 135.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.345
_cell_length_b                   4.928
_cell_length_c                   15.733
_cell_volume                     455.101
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Milius_ZNBSEN_1989_1969.cif
_cod_data_source_block           Br1Cu1Te2
_cod_original_cell_volume        455.1009
_cod_original_formula_sum        'Br1 Cu1 Te2'
_cod_database_code               7223694
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-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
Cu1 Cu+1 0.7861 0.1431 0.2492 1 0.0
Te2 Te 0.2933 0.2836 0.3573 1 0.0
Br1 Br-1 0.6822 0.8936 0.3872 1 0.0
Te1 Te 0.9954 0.4997 0.3603 1 0.0
