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#$Date: 2015-07-12 15:59:16 +0200 (Sun 12 de Jul de 2015) $
#$Revision: 146627 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/56/1525608.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1525608
loop_
_publ_author_name
'Baranov, A.I.'
'Olenev, A.V.'
'Popovkin, B.A.'
_publ_section_title
;
 Crystal and electronic structure of Ni3 Bi2 S2 (parkerite)
;
_journal_name_full               'Izvestiya Akad. Nauk, Seriya Khimicheskaya'
_journal_page_first              337
_journal_page_last               342
_journal_volume                  50
_journal_year                    2001
_chemical_formula_sum            'Bi2 Ni3 S2'
_chemical_name_systematic        'Ni3 Bi2 S2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.98
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.065
_cell_length_b                   8.078
_cell_length_c                   11.451
_cell_volume                     1023.525
_citation_journal_id_ASTM        IASKEA
_cod_data_source_file            Baranov_IASKEA_2001_1046.cif
_cod_data_source_block           Bi2Ni3S2
_cod_database_code               1525608
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Bi2 Bi 0.3756 0 0.1234 1 0.0
Ni3 Ni 0.5 0.7376 0.5 1 0.0
Ni4 Ni 0 0.7365 0 1 0.0
Bi1 Bi 0.1246 0 0.3766 1 0.0
Ni2 Ni 0.25 0.25 0.5 1 0.0
Ni6 Ni 0.1246 0 0.1403 1 0.0
Bi4 Bi 0.8764 0 0.1182 1 0.0
Ni5 Ni 0.3757 0 0.3588 1 0.0
S2 S 0.126 0.7292 0.1468 1 0.0
S1 S 0.3748 0.7291 0.3531 1 0.0
Bi3 Bi 0.6228 0 0.3853 1 0.0
Ni1 Ni 0.25 0.75 0 1 0.0
