#------------------------------------------------------------------------------
#$Date: 2024-08-07 19:09:39 +0200 (Wed, 07 Aug 2024) $
#$Revision: 294031 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/13/9001316.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_9001316
loop_
_publ_author_name
'Bayliss, P.'
_publ_section_title
;Crystal chemistry and crystallography of some minerals in the tetradymite
 group
;
_journal_name_full               'American Mineralogist'
_journal_page_first              257
_journal_page_last               265
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Ag Bi Te2'
_chemical_name_mineral           Volynskite
_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_formula_units_Z            3
_cell_length_a                   4.468
_cell_length_b                   4.468
_cell_length_c                   20.75
_cell_volume                     358.736
_database_code_amcsd             0001346
_exptl_crystal_density_diffrn    7.944
_cod_database_code               9001316
loop_
_space_group_symop_operation_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
Ag1 0.00000 0.00000 0.50000
Ag2 0.33333 0.66667 0.66667
Bi1 0.00000 0.00000 0.00000
Bi2 0.33333 0.66667 0.16300
Te1 0.00000 0.00000 0.25000
Te2 0.33333 0.66667 0.41700
Te3 0.33333 0.66667 0.91700
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_atom_labels 10224 2024-08-07 11:09:31Z saulius
;
2024-08-07T19:38:10+03:00
;Changed the following '_atom_site_label' values:
the first duplicated label 'Ag'  converted to 'Ag1'
duplicated label 'Ag' at index 1 converted to 'Ag2'
the first duplicated label 'Bi'  converted to 'Bi1'
duplicated label 'Bi' at index 3 converted to 'Bi2'
the first duplicated label 'Te'  converted to 'Te1'
duplicated label 'Te' at index 5 converted to 'Te2'
duplicated label 'Te' at index 6 converted to 'Te3'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001346
