#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/23/9012389.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_9012389
loop_
_publ_author_name
'Mayer, H. W.'
'Bhatt, Y. C.'
'Schubert, K.'
_publ_section_title
;
 Kristallstrukturen von Pd2PbBi und Pd4PbBi3
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-5088(79)90189-9
_journal_volume                  66
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi Pb Pd2'
_chemical_name_mineral           Polarite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2c'
_symmetry_space_group_name_H-M   'C c m 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.150
_cell_length_b                   8.681
_cell_length_c                   10.535
_cell_formula_units_Z            8
_cell_volume                     653.898
_database_code_amcsd             0014143
_exptl_crystal_density_diffrn    12.779
_cod_original_formula_sum        'Pd2 Pb Bi'
_cod_database_code               9012389
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
-x,y,1/2+z
1/2-x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+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
Pdb 0.16316 0.03818 0.20241 0.00000 -0.01145 0.00463
Pbb 0.01813 0.14889 0.11808 0.00000 0.00000 0.00000
Pba 0.02331 0.13744 0.11808 0.00000 0.01145 0.00000
Bib 0.01813 0.00000 0.03936 -0.00314 -0.00763 0.00463
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pda1 0.08200 0.00000 0.26900
Pda2 0.67300 0.00000 0.26400
Pdb 0.11900 0.25600 0.43700
Pbb 0.12000 0.00000 0.00000
Pba 0.63800 0.00000 0.98900
Bib 0.12200 0.27630 0.71000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014143
