#------------------------------------------------------------------------------
#$Date: 2015-10-10 05:39:19 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 164742 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/68/1536855.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_1536855
loop_
_publ_author_name
'Zabel, M.'
'Range, K.J.'
_publ_section_title
;
 Struktur und Phasenumwandlugen von Tl2 Fe3 S4
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              561
_journal_page_last               568
_journal_volume                  17
_journal_year                    1980
_chemical_formula_sum            'Fe3 S4 Tl2'
_chemical_name_systematic        'Tl2 Fe3 S4'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.397
_cell_length_b                   10.587
_cell_length_c                   13.313
_cell_volume                     760.679
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Zabel_RVCMA8_1980_1731.cif
_cod_data_source_block           Fe3S4Tl2
_cod_original_cell_volume        760.6786
_cod_database_code               1536855
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1/2,y+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z
x+1/2,-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
Tl1 Tl+1 0.243 0.123 0 1 0.0
S1 S-2 0.264 0.128 0.347 1 0.0
Fe1 Fe+2 0 0.234 0.25 1 0.0
Fe2 Fe+2 0.5 0 0.25 1 0.0
