#------------------------------------------------------------------------------
#$Date: 2015-09-12 18:20:21 +0200 (Sat 12 de Sep de 2015) $
#$Revision: 156134 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530901.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_1530901
loop_
_publ_author_name
'Tronc, E.'
'Moret, R.'
_publ_section_title
;
 Structure refinement of nonstoichiometric Ti S2 (Ti1.083 S2)
;
_journal_name_full               'Synthetic metals'
_journal_page_first              113
_journal_page_last               118
_journal_volume                  4
_journal_year                    1981
_chemical_formula_sum            'S2 Ti1.083'
_chemical_name_systematic        'Ti1.083 S2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.413
_cell_length_b                   3.413
_cell_length_c                   5.717
_cell_volume                     57.673
_citation_journal_id_ASTM        SYMEDZ
_cod_data_source_file            Tronc_SYMEDZ_1981_796.cif
_cod_data_source_block           S2Ti1.083
_cod_original_cell_volume        57.67285
_cod_database_code               1530901
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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-2 0.3333 0.6667 0.24981 1 0.0
Ti2 Ti+4 0 0 0.5 0.083 0.0
Ti1 Ti+4 0 0 0 1 0.0
