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#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006123.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_9006123
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_[local]_cod_cif_authors_sg_H-M  'F m 3 m'
loop_
_publ_author_name
'Tsukimura K'
'Nakazawa H'
'Endo T'
'Fukunaga O'
_publ_section_title
;
 Cation distribution in Pentlandites (Fe,Ni)9S8: dependence of pressure and
 temperature and kinetics of the cation exchange reaction
 Sample: Synthetic, Fe/(Fe+Ni) = .556, T = 523 K, P = 4 GPa
 Note: structure was not refined in this study
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              203
_journal_page_last               212
_journal_volume                  19
_journal_year                    1992
_chemical_formula_sum            'Fe5.002 Ni3.998 S8'
_[local]_cod_chemical_formula_sum_orig '(Fe5.002 Ni3.998) S8'
_chemical_name_mineral           Pentlandite
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.044
_cell_length_b                   10.044
_cell_length_c                   10.044
_cell_volume                     1013.258
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 0.50000 0.50000 0.50000 0.98600
Ni1 0.50000 0.50000 0.50000 0.01400
Fe2 0.12500 0.12500 0.12500 0.50200
Ni2 0.12500 0.12500 0.12500 0.49800
S1 0.25000 0.25000 0.25000 1.00000
S2 0.25000 0.00000 0.00000 1.00000