#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001317.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_9001317
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            'Bi S0.56 Te0.44'
_chemical_name_mineral           Ingodite
_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_length_a                   4.2477
_cell_length_b                   4.2477
_cell_length_c                   23.075
_cell_formula_units_Z            6
_cell_volume                     360.562
_database_code_amcsd             0001347
_exptl_crystal_density_diffrn    7.822
_cod_original_formula_sum        'Bi (S.56 Te.44)'
_cod_database_code               9001317
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
_atom_site_occupancy
Bi 0.00000 0.00000 0.12400 1.00000
Bi 0.33333 0.66667 0.29100 1.00000
Bi 0.66667 0.33333 0.45900 1.00000
S 0.00000 0.00000 0.36200 0.56000
Te 0.00000 0.00000 0.36200 0.44000
S 0.33333 0.66667 0.05600 0.56000
Te 0.33333 0.66667 0.05600 0.44000
S 0.66667 0.33333 0.21100 0.56000
Te 0.66667 0.33333 0.21100 0.44000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001347
