#------------------------------------------------------------------------------
#$Date: 2015-07-12 17:22:54 +0200 (dom 12 de jul de 2015) $
#$Revision: 147086 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/59/1525997.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_1525997
loop_
_publ_author_name
'Evstigneyeva, T.L.'
'Kabalov, Yu.K.'
_publ_section_title
;
 Crystal structure of the cubic modification of Cu2 Fe Sn S4
;
_journal_name_full               Kristallografiya
_journal_page_first              418
_journal_page_last               422
_journal_volume                  46
_journal_year                    2001
_chemical_formula_sum            'Cu1.86 Fe0.8 S4 Sn0.97'
_chemical_name_systematic        '(Cu1.86 Fe0.44 Sn0.33) ((Sn0.64 Fe0.36) S4)'
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.4179
_cell_length_b                   5.4179
_cell_length_c                   5.4179
_cell_volume                     159.035
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Evstigneyeva_KRISAJ_2001_1759.cif
_cod_data_source_block           Cu1.86Fe0.8S4Sn0.97
_cod_original_cell_volume        159.0351
_cod_database_code               1525997
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
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
Sn1 Sn+4 0 0 0 0.64 0.0
Fe2 Fe+2 0 0.5 0.5 0.147 0.0
Cu1 Cu+1 0 0.5 0.5 0.62 0.0
S1 S-2 0.2583 0.2583 0.2583 1 0.0
Fe1 Fe+2 0 0 0 0.36 0.0
Sn2 Sn+4 0 0.5 0.5 0.11 0.0
