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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/14/9011456.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_9011456
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 Kristallchemie naturlicher telluride III: Die kristallstruktur des minerals calaverit, AuTe2
 Locality: Cripple Creek, Colorado, USA
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              227
_journal_page_last               236
_journal_volume                  169
_journal_year                    1984
_chemical_formula_sum            'Au Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 125.2
_cell_angle_gamma                90
_cell_length_a                   8.76
_cell_length_b                   4.410
_cell_length_c                   10.15
_cell_volume                     320.411
_exptl_crystal_density_diffrn    9.373
_cod_database_code               9011456
_amcsd_database_code             AMCSD#0010547
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,1/2+z
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
Au1 0.01324 0.02847 0.02161 -0.00240 0.00962 0.00130
Au2 0.01609 0.02847 0.02405 -0.00240 0.01053 0.00222
Te1 0.01480 0.09961 0.02579 0.00640 0.01384 -0.00611
Te22 0.01090 0.04246 0.02439 -0.00608 0.00962 -0.00926
Te3 0.01350 0.04414 0.01986 0.00416 0.00872 0.00667
Te4 0.01532 0.03202 0.02439 -0.00944 0.01113 -0.00852
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Au1 0.74830 0.49380 0.12430
Au2 0.24600 -0.00590 0.87310
Te1 0.93510 -0.01380 0.57280
Te22 0.55850 0.05200 0.67470
Te3 0.05750 0.44640 0.42090
Te4 0.43630 0.55850 0.32350