#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011204.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_9011204
loop_
_publ_author_name
'Yamana, K.'
'Kihara, K.'
'Matsumoto, T.'
_publ_section_title
;
 Bismuth tellurides: BiTe and Bi4Te3
 Note: anisoB's from ICSD
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              147
_journal_page_last               149
_journal_paper_doi               10.1107/S0567740879002788
_journal_volume                  35
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi Te'
_chemical_name_mineral           Tsumoite
_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                   4.423
_cell_length_b                   4.423
_cell_length_c                   24.002
_cell_formula_units_Z            6
_cell_volume                     406.642
_database_code_amcsd             0009660
_exptl_crystal_density_diffrn    8.247
_cod_database_code               9011204
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_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
Bi1 0.01747 0.01747 0.01167 0.00877 0.00000 0.00000
Bi2 0.01881 0.01881 0.01459 0.00944 0.00000 0.00000
Bi3 0.01412 0.01412 0.04086 0.00706 0.00000 0.00000
Te1 0.01390 0.01390 0.00584 0.00699 0.00000 0.00000
Te2 0.01955 0.01955 0.03502 0.00877 0.00000 0.00000
Te3 0.01323 0.01323 0.04962 0.00662 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi1 0.00000 0.00000 0.12420
Bi2 0.33333 0.66667 0.29080
Bi3 0.66667 0.33333 0.45750
Te1 0.33333 0.66667 0.05520
Te2 0.66667 0.33333 0.21490
Te3 0.00000 0.00000 0.36870
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009660
