#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000049.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_9000049
loop_
_publ_author_name
'Tunell, G.'
'Murata, K. J.'
_publ_section_title
;
 The atomic arrangement and chemical composition of krennerite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              959
_journal_page_last               984
_journal_volume                  35
_journal_year                    1950
_chemical_formula_sum            'Ag0.2 Au0.8 Te2'
_chemical_name_mineral           Krennerite
_space_group_IT_number           28
_symmetry_space_group_name_Hall  'P 2 -2a'
_symmetry_space_group_name_H-M   'P m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.54
_cell_length_b                   8.82
_cell_length_c                   4.46
_cell_formula_units_Z            8
_cell_volume                     650.637
_database_code_amcsd             0000052
_exptl_crystal_density_diffrn    8.868
_cod_original_formula_sum        '(Au.8 Ag.2) Te2'
_cod_database_code               9000049
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,-y,z
1/2-x,y,z
-x,-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au1 0.00000 0.00000 0.00000 0.80000
Au2 0.25000 0.31900 0.01400 0.80000
Au3 0.12400 0.66600 0.50000 0.80000
Ag1 0.00000 0.00000 0.00000 0.20000
Ag2 0.25000 0.31900 0.01400 0.20000
Ag3 0.12400 0.66600 0.50000 0.20000
Te1 0.25000 0.01800 0.04200 1.00000
Te2 0.25000 0.61700 0.04200 1.00000
Te3 0.00300 0.69900 0.04200 1.00000
Te4 0.13200 0.36400 0.50000 1.00000
Te5 0.11900 0.96400 0.50000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000052
