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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/2/10/63/2106354.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106354
loop_
_publ_author_name
'Jumas, J.C.'
'Philippot, E.'
'Maurin, M.'
_publ_section_title
;
 Etude structurale d'un thiospinelle d'etain Fe2 Sn S4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3850
_journal_page_last               3854
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Fe2 S4 Sn'
_chemical_name_systematic        'Fe2 (Sn S4)'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.308
_cell_length_b                   7.308
_cell_length_c                   10.338
_cell_volume                     552.120
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Jumas_ACBCAR_1977_772.cif
_cod_data_source_block           Fe2S4Sn1
_cod_original_cell_volume        552.1202
_cod_original_sg_symbol_Hall     '-I 4ad (x,y+1/4,z+1/8)'
_cod_original_formula_sum        'Fe2 S4 Sn1'
_cod_database_code               2106354
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/2,z+1/4
-x+1/2,-y+1/2,z+1/2
y+1/2,-x,z+3/4
-x,-y+1/2,-z+1/4
y,-x,-z
x-1/2,y,-z-1/4
-y-1/2,x+1/2,-z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1,z+3/4
-x+1,-y+1,z+1
y+1,-x+1/2,z+5/4
-x+1/2,-y+1,-z+3/4
y+1/2,-x+1/2,-z+1/2
x,y+1/2,-z+1/4
-y,x+1,-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
Fe1 Fe+2 0 0.25 0.625 0.5 0.0
Sn1 Sn+4 0 0.25 0.625 0.5 0.0
S1 S-2 0.2606 -0.0003 0.1309 1 0.0
Fe2 Fe+2 0 0 0 1 0.0
