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#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/49/9004907.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_9004907
loop_
_publ_author_name
'Paar, W. H.'
'Topa, D.'
'Makovicky, E.'
'Culetto, F. J.'
_publ_section_title
;Milotaite, PdSbSe, a new palladium mineral species from Predborice, Czech
 Republic Sample: synthetic analog to milotaite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              689
_journal_page_last               694
_journal_paper_doi               10.2113/gscanmin.43.2.689
_journal_volume                  43
_journal_year                    2005
_chemical_formula_sum            'Pd Sb Se'
_chemical_name_mineral           Milotaite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.3181
_cell_length_b                   6.3181
_cell_length_c                   6.3181
_cell_formula_units_Z            4
_cell_volume                     252.208
_database_code_amcsd             0006003
_exptl_crystal_density_diffrn    8.089
_cod_database_code               9004907
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-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
Pd 0.00880 0.00880 0.00880 -0.00010 -0.00010 0.00010
Sb 0.00960 0.00960 0.00960 0.00110 0.00110 0.00110
Se 0.01040 0.01040 0.01040 -0.00060 0.00060 -0.00060
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pd 0.25390 0.74610 0.24610 0.00880
Sb 0.12677 0.12677 0.12677 0.00960
Se 0.63232 0.86768 0.13232 0.01040
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006003
