#------------------------------------------------------------------------------
#$Date: 2015-10-10 14:36:19 +0300 (Sat, 10 Oct 2015) $
#$Revision: 165497 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/73/1537381.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_1537381
loop_
_publ_author_name
'Hahn, H.'
'Harder, B.'
_publ_section_title
;
 Zur Kristallstruktur der Titansulfide
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              241
_journal_page_last               256
_journal_volume                  288
_journal_year                    1956
_chemical_formula_sum            'S4 Ti3'
_chemical_name_systematic        'Ti3 S4'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.43
_cell_length_b                   3.43
_cell_length_c                   11.4
_cell_volume                     116.151
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hahn_ZAACAB_1956_801.cif
_cod_data_source_block           S4Ti3
_cod_original_cell_volume        116.1512
_cod_database_code               1537381
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
S1 S 0 0 0 1 0.0
S2 S 0.3333 0.6667 0.75 1 0.0
Ti1 Ti 0.3333 0.6667 0.115 0.75 0.0
