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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/1/54/03/1540354.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_1540354
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            'Cr0.78 In1.22 Mn S4'
_chemical_name_systematic        'Mn Cr.78 In1.22 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                   10.464
_cell_length_b                   10.464
_cell_length_c                   10.464
_cell_volume                     1145.759
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lutz_ZAACAB_1989_1246.cif
_cod_data_source_block           Cr0.78In1.22Mn1S4
_cod_original_formula_sum        'Cr0.78 In1.22 Mn1 S4'
_cod_database_code               1540354
loop_
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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 0.52 0.0
S1 S-2 0.2589 0.2589 0.2589 1 0.0
Cr1 Cr+3 0.5 0.5 0.5 0.39 0.0
In1 In+3 0.125 0.125 0.125 0.18 0.0
Mn1 Mn+2 0.125 0.125 0.125 0.82 0.0
Mn2 Mn+2 0.5 0.5 0.5 0.09 0.0
