#------------------------------------------------------------------------------
#$Date: 2009-11-23 07:50:56 +0200 (Mon, 23 Nov 2009) $
#$Revision: 903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011287.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011287
loop_
_publ_author_name
'Reithmayer, K.'
'Steurer, W.'
'Schulz, H.'
'de Boer, J. L.'
_publ_section_title
;
 High-pressure single-crystal structure study on calaverite, AuTe2
 Locality: synthetic
 Sample: P = 5.13 GPa
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              6
_journal_page_last               11
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.078
_cell_length_b                   4.078
_cell_length_c                   5.000
_cell_volume                     72.010
_diffrn_ambient_pressure         5.13e+06
_[local]_cod_data_source_file    09031.cif
_[local]_cod_data_source_block   global
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Au 0.00000 0.00000 0.00000
Te 0.66667 0.33333 0.29320
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Au 0.01170 0.01170 0.00740 0.00590 0.00000 0.00000
Te 0.01050 0.01050 0.01040 0.00520 0.00000 0.00000