#------------------------------------------------------------------------------
#$Date: 2024-05-29 15:00:33 +0100 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/78/9017823.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_9017823
loop_
_publ_author_name
'Bindi, L.'
_publ_section_title
;
 Chemical and structural characterization of henryite, (Cu,Ag)3+xTe2 (x ~ 0.40):
 A new structure type in the (Ag)-Cu-Te system
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              108
_journal_page_last               111
_journal_volume                  38
_journal_year                    2014
_chemical_compound_source        'the Campbell orebody, Bisbee, Arizona, USA'
_chemical_formula_sum            'Ag1.468 Cu1.918 Fe0.022 Te'
_chemical_name_mineral           Henryite
_space_group_IT_number           228
_space_group_name_Hall           'F 4d 2 3 -1ad'
_space_group_name_H-M_alt        'F d -3 c :1'
_symmetry_space_group_name_H-M   'F d -3 c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.1987
_cell_length_b                   12.1987
_cell_length_c                   12.1987
_cell_formula_units_Z            16
_cell_volume                     1815.268
_database_code_amcsd             0020215
_exptl_crystal_density_diffrn    5.987
_cod_data_source_file            inputs/fixed/downloads/20/20191.cif
_cod_data_source_block           20191
_cod_original_cell_volume        1815.267
_cod_original_sg_symbol_H-M      'F d 3 c'
_cod_original_formula_sum        'Cu1.918 Ag1.468 Fe.022 Te'
_cod_database_code               9017823
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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
CuM1 0.06300 0.06300 0.06300 0.00000 0.00000 0.00000
AgM1 0.06300 0.06300 0.06300 0.00000 0.00000 0.00000
CuM2 0.06500 0.06300 0.06300 0.00000 0.00000 0.00000
AgM2 0.06500 0.06300 0.06300 0.00000 0.00000 0.00000
FeM2 0.06500 0.06300 0.06300 0.00000 0.00000 0.00000
Te 0.06800 0.06800 0.06800 -0.00100 -0.00100 -0.00100
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
CuM1 0.12500 0.12500 0.12500 0.48400 0.06300
AgM1 0.12500 0.12500 0.12500 0.36600 0.06300
CuM2 0.87500 0.12500 0.12500 0.47500 0.06400
AgM2 0.87500 0.12500 0.12500 0.36800 0.06400
FeM2 0.87500 0.12500 0.12500 0.01100 0.06400
Te 0.00000 0.00000 0.00000 1.00000 0.06800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020215