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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/21/9012148.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_9012148
loop_
_publ_author_name
'Riedel, E.'
'Karl, R.'
'Rackwitz, R.'
_publ_section_title
;Mossbauer studies of thiospinels. V. The systems Cu1-xFexMe2S4 (Me=Cr,Rh) and
 Cu1-xFexCr2(S.7Se.3)4 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              255
_journal_page_last               265
_journal_paper_doi               10.1016/0022-4596(81)90390-X
_journal_volume                  40
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 Cu0.1 Fe0.9 S4'
_chemical_name_mineral           Daubreelite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.978
_cell_length_b                   9.978
_cell_length_c                   9.978
_cell_formula_units_Z            8
_cell_volume                     993.415
_database_code_amcsd             0013429
_exptl_crystal_density_diffrn    3.863
_cod_original_cell_volume        993.414
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Cu.1 Fe.9) Cr2 S4'
_cod_database_code               9012148
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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1/4+z,3/4-x,3/4+y
1/4+z,1/4-x,1/4+y
-y,1/2+z,1/2-x
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1/2-y,+z,1/2-x
3/4+x,3/4-y,1/4+z
3/4+x,1/4-y,3/4+z
1/4+x,3/4-y,3/4+z
1/4+x,1/4-y,1/4+z
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1/2-y,1/2-x,z
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1/4+y,1/4+x,1/4-z
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3/4-z,3/4-x,1/4-y
y,z,x
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1/4-x,3/4-y,3/4-z
3/4-x,1/4-y,3/4-z
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z,x,y
z,1/2+x,1/2+y
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1/4-y,3/4-z,3/4-x
3/4-y,1/4-z,3/4-x
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu 0.00000 0.00000 0.00000 0.10000
Fe 0.00000 0.00000 0.00000 0.90000
Cr 0.62500 0.62500 0.62500 1.00000
S 0.38300 0.38300 0.38300 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013429
