#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000048.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_9000048
loop_
_publ_author_name
'Peacock, M. A.'
'McAndrew, J.'
_publ_section_title
;
 On parkerite and shandite and the crystal structure of Ni3Pb2S2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              425
_journal_page_last               439
_journal_volume                  35
_journal_year                    1950
_chemical_formula_sum            'Ni3 Pb2 S2'
_chemical_name_mineral           Shandite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                60
_cell_angle_beta                 60
_cell_angle_gamma                60
_cell_length_a                   5.576
_cell_length_b                   5.576
_cell_length_c                   5.576
_cell_formula_units_Z            1
_cell_volume                     122.590
_database_code_amcsd             0000051
_exptl_crystal_density_diffrn    8.867
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb2 Ni3 S2'
_cod_database_code               9000048
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-z,-y
-z,-x,-y
y,x,z
y,z,x
-z,-y,-x
-x,-y,-z
x,z,y
z,x,y
-y,-x,-z
-y,-z,-x
z,y,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb1 0.00000 0.00000 0.00000
Pb2 0.50000 0.50000 0.50000
Ni 0.50000 0.00000 0.00000
S 0.28500 0.28500 0.28500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000051
