#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011258.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_9011258
loop_
_publ_author_name
'Schutte, W. J.'
'de Boer, J. L.'
_publ_section_title
;Valence fluctuations in the incommensurately modulated structure of
 calaverite AuTe2 Locality: Cripple Creek, Colorado Sample: T = 298 K
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              486
_journal_page_last               494
_journal_paper_doi               10.1107/S0108768188007001
_journal_volume                  44
_journal_year                    1988
_chemical_compound_source        'Cripple Creek, Colorado'
_chemical_formula_sum            'Ag0.1 Au0.9 Te2'
_chemical_name_mineral           Calaverite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.038
_cell_angle_gamma                90
_cell_length_a                   7.1947
_cell_length_b                   4.4146
_cell_length_c                   5.0703
_cell_formula_units_Z            2
_cell_volume                     161.041
_database_code_amcsd             0009826
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    9.141
_cod_original_formula_sum        '(Au.9 Ag.1) Te2'
_cod_database_code               9011258
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-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
Au 0.01023 0.01550 0.01263 0.00000 0.00222 0.00000
Ag 0.01023 0.01550 0.01263 0.00000 0.00222 0.00000
Te 0.01154 0.11255 0.01211 0.00000 0.00203 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au 0.00000 0.00000 0.00000 0.90000
Ag 0.00000 0.00000 0.00000 0.10000
Te 0.68940 0.00000 0.28880 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009826
