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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011842.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_9011842
loop_
_publ_author_name
'Talybov, A. G.'
'Vainshtein, B. K.'
_publ_section_title
;
 An electron diffraction study of the structure of PbBi4Te7
 Loality: synthetic
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              432
_journal_page_last               438
_journal_volume                  6
_journal_year                    1962
_chemical_formula_sum            'Bi3 Pb0.75 Te5.25'
_chemical_name_mineral           Kochkarite
_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                   4.50
_cell_length_b                   4.50
_cell_length_c                   17.600
_cell_formula_units_Z            1
_cell_volume                     308.651
_database_code_amcsd             0015543
_exptl_crystal_density_diffrn    7.813
_cod_original_formula_sum        'Bi3 Te5.25 Pb.75'
_cod_database_code               9011842
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
Bi1 0.00000 0.00000 0.00000 1.00000
Te2 0.33333 0.66667 0.11000 1.00000
Te1 0.00000 0.00000 0.33333 0.81250
Pb1 0.00000 0.00000 0.33333 0.18750
Te3 0.33333 0.66667 0.44400 0.81250
Pb2 0.33333 0.66667 0.44400 0.18750
Bi2 0.33333 0.66667 0.77800 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015543
