#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103986.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_8103986
loop_
_publ_author_name
'Bradtmoeller, S.'
'Boettcher, P.'
_publ_section_title
;
 Crystal structure of copper tetrathallium tritelluride, CuTl4Te3
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              97
_journal_page_last               97
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'Cu Te3 Tl4'
_chemical_name_systematic        'Cu Tl4 Te3'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.928
_cell_length_b                   8.928
_cell_length_c                   12.603
_cell_volume                     1004.575
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Bradtmoeller_ZEKRDZ_1994_1597.cif
_cod_data_source_block           Cu1Te3Tl4
_cod_original_formula_sum        'Cu1 Te3 Tl4'
_cod_database_code               8103986
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
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+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-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+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,z
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+2 0.14775 0.64775 0.1592 0.2 0.0
Tl1 Tl+1 0.14775 0.64775 0.1592 0.8 0.0
Tl2 Tl+1 0.5 0.5 0 0.8 0.0
Te1 Te-2 0.5 0.5 0.75 1 0.0
Te2 Te-2 0.34095 0.84095 0 1 0.0
Cu2 Cu+2 0.5 0.5 0 0.2 0.0
