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#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/63/9016399.cif $
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#
# 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_9016399
loop_
_publ_author_name
'Vymazalova, A.'
'Laufek, F.'
'Drabek, M.'
'Cabral, A. R.'
'Haloda, J.'
'Sidorinova, T.'
'Lehmann, B.'
'Galbiatti, H. F.'
'Drahokoupil, J.'
_publ_section_title
;
 Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from
 the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil
 Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              431
_journal_page_last               440
_journal_paper_doi               10.3749/canmin.50.2.431
_journal_volume                  50
_journal_year                    2012
_chemical_formula_sum            'Hg Pt2 Se3'
_chemical_name_mineral           Jacutingaite
_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                90
_cell_length_a                   7.3477
_cell_length_b                   7.3477
_cell_length_c                   5.2955
_cell_formula_units_Z            2
_cell_volume                     285.897
_database_code_amcsd             0019200
_exptl_crystal_density_diffrn    9.614
_cod_original_formula_sum        'Pt2 Hg Se3'
_cod_database_code               9016399
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_U_iso_or_equiv
Pt1 0.00000 0.00000 0.00000 0.00557
Pt2 0.50000 0.00000 0.00000 0.00557
Hg 0.33333 0.66667 0.35070 0.00367
Se 0.81960 0.18040 0.24920 0.00798
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019200
