#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/97/1539786.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_1539786
loop_
_publ_author_name
'Fuhrmann, J.'
'Pickardt, J.'
_publ_section_title
;
 Zuechtung und r:ntgenographische Untersuchung von Einkristallen der
 Thiosilicate (Mn, Mg)2 Si S4, (Mn, Fe)2 Si S4 und (Mg, Fe)2 Si S4 mit
 Olivinstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              73
_journal_page_last               78
_journal_volume                  586
_journal_year                    1990
_chemical_formula_sum            'Fe0.6 Mn1.4 S4 Si'
_chemical_name_systematic        'Mn1.4 Fe0.6 (Si S4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.651
_cell_length_b                   7.361
_cell_length_c                   5.899
_cell_volume                     549.339
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Fuhrmann_ZAACAB_1990_1223.cif
_cod_data_source_block           Fe0.6Mn1.4S4Si1
_cod_original_cell_volume        549.3386
_cod_original_formula_sum        'Fe0.6 Mn1.4 S4 Si1'
_cod_database_code               1539786
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
Si1 Si+4 0.4112 0.25 0.0936 1 0.0
S1 S-2 0.4088 0.25 0.7368 1 0.0
Mn2 Mn+2 0.2299 0.25 0.5094 0.7 0.0
S3 S-2 0.3347 0.0219 0.2475 1 0.0
Mn1 Mn+2 0 0 0 0.7 0.0
Fe2 Fe+2 0.2299 0.25 0.5094 0.3 0.0
Fe1 Fe+2 0 0 0 0.3 0.0
S2 S-2 0.5662 0.25 0.2413 1 0.0
