#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/72/9017264.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_9017264
loop_
_publ_author_name
'Skacha, P.'
'Sejkora, J.'
'Plasil, J.'
'Dolnicek, Z.'
'Ulmanova, J.'
_publ_section_title
;
 Grimmite, NiCo2S4, a new thiospinel from Pribram, Czech Republic
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              175
_journal_page_last               187
_journal_volume                  33
_journal_year                    2021
_chemical_compound_source        'Pribram, Czech Republic'
_chemical_formula_sum            'Bi0.01 Co1.932 Fe0.06 Ni Pb0.01 S4'
_chemical_name_mineral           Grimmite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.3933
_cell_length_b                   9.3933
_cell_length_c                   9.3933
_cell_formula_units_Z            8
_cell_volume                     828.809
_database_code_amcsd             0020969
_exptl_crystal_density_diffrn    4.942
_cod_data_source_file            inputs/fixed/downloads/08/08633.cif
_cod_data_source_block           08633
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Co1.932 Fe.06 Pb.01 Bi.01 Ni S4'
_cod_database_code               9017264
loop_
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1/4-y,1/2+z,3/4-x
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3/4-y,1/4-x,1/2+z
1/4-y,3/4-x,1/2+z
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3/4-z,1/4-y,1/2+x
1/4-z,3/4-y,1/2+x
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y,z,x
y,1/2+z,1/2+x
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z,1/2+x,1/2+y
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Co1 0.50000 0.75000 0.25000 0.96600 0.00650
Fe1 0.50000 0.75000 0.25000 0.03000 0.00650
Pb1 0.50000 0.75000 0.25000 0.00500 0.00650
Bi1 0.50000 0.75000 0.25000 0.00500 0.00650
Ni2 0.62500 0.62500 0.62500 1.00000 0.01000
S 0.48980 0.76020 0.48980 1.00000 0.01220
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020969
