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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/03/1540358.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_1540358
loop_
_publ_author_name
'Lutz, H.D.'
'Jung, M.'
_publ_section_title
;
 Kationenverteilung und Ueberstrukturordnung in ternaeren und quaternaeren
 Sulfidspinellen M(II) (M2)(III) S - Einkristallstrukturuntersuchungen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              57
_journal_page_last               65
_journal_volume                  579
_journal_year                    1989
_chemical_formula_sum            'Cr1.24 In0.76 Mn S4'
_chemical_name_systematic        'Mn Cr1.24 In.76 S4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.338
_cell_length_b                   10.338
_cell_length_c                   10.338
_cell_volume                     1104.866
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lutz_ZAACAB_1989_1250.cif
_cod_data_source_block           Cr1.24In0.76Mn1S4
_cod_original_formula_sum        'Cr1.24 In0.76 Mn1 S4'
_cod_database_code               1540358
loop_
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-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
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-y,-x,-z
z,x,y
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-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
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z,-y+1/4,-x-3/4
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
In2 In+3 0.5 0.5 0.5 0.34 0.0
Cr1 Cr+3 0.5 0.5 0.5 0.6 0.0
In1 In+3 0.125 0.125 0.125 0.12 0.0
Mn1 Mn+2 0.125 0.125 0.125 0.88 0.0
S1 S-2 0.26019 0.26019 0.26019 1 0.0
Mn2 Mn+2 0.5 0.5 0.5 0.06 0.0
