#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/25/9012595.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_9012595
loop_
_publ_author_name
'Zhukova, T. B.'
'Zaslavskii, A. I.'
_publ_section_title
;
 X-ray structure determination of PbBi4Te7
;
_journal_name_full               'Zhurnal Strukturnoi Khimii'
_journal_page_first              462
_journal_page_last               468
_journal_volume                  11
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2.28 Pb0.57 Te4'
_chemical_name_mineral           Rucklidgeite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.45
_cell_length_b                   4.45
_cell_length_c                   41.532
_cell_formula_units_Z            3
_cell_volume                     712.252
_database_code_amcsd             0015894
_exptl_crystal_density_diffrn    7.728
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb.57 Bi2.28 Te4'
_cod_database_code               9012595
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1 0.00000 0.00000 0.00000 0.19000
Bi1 0.00000 0.00000 0.00000 0.76000
Pb2 0.00000 0.00000 0.42900 0.19000
Bi2 0.00000 0.00000 0.42900 0.76000
Te1 0.00000 0.00000 0.28800 1.00000
Te2 0.00000 0.00000 0.13600 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015894
