#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017726.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_9017726
loop_
_publ_author_name
'Karimova, O. V.'
'Zolotarev, A. A.'
'Johanson, B. S.'
'Evstigneeva, T. L.'
_publ_section_title
;
 The crystal structure of arsenopalladinite, Pd8As2.5Sb0.5,
 and its relation to mertieite-II, Pd8Sb2.5As0.5
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              746
_journal_page_last               752
_journal_volume                  84
_journal_year                    2020
_chemical_compound_source
'Kaarreoja River, Inari commune, Finnish Lapland, Finland'
_chemical_formula_sum            'As5 Pd16 Sb'
_chemical_name_mineral           Arsenopalladinite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.869
_cell_angle_beta                 102.566
_cell_angle_gamma                119.096
_cell_length_a                   7.3344
_cell_length_b                   7.3870
_cell_length_c                   7.5255
_cell_formula_units_Z            1
_cell_volume                     331.190
_database_code_amcsd             0020905
_exptl_crystal_density_diffrn    11.026
_cod_data_source_file            inputs/fixed/downloads/18/18633.cif
_cod_data_source_block           18633
_cod_original_formula_sum        'Pd16 Sb As5'
_cod_database_code               9017726
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pd1 0.43570 0.05665 0.15926 0.01700
Pd2 0.18140 0.12257 0.39072 0.01650
Pd3 0.78960 0.50030 0.39320 0.02120
Pd4 0.37780 0.41680 0.15203 0.02520
Pd5 0.05060 0.71010 -0.20324 0.02250
Pd6 -0.01350 0.30950 -0.15586 0.02260
Pd7 0.72300 0.84740 0.20667 0.02360
Pd8 0.40920 0.77400 0.39540 0.02470
Sb1 0.00000 0.00000 0.00000 0.00980
As1 0.50000 0.50000 0.50000 0.01240
As2 0.16770 0.83450 -0.47390 0.01410
As3 0.33450 0.67530 0.00150 0.01370
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020905
