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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/2/31/04/2310457.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_2310457
loop_
_publ_author_name
'Owens, J.P.'
'Conard, B.R.'
'Franzen, H.F.'
_publ_section_title
;
 The crystal structure of Ti2 S
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              77
_journal_page_last               82
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'S Ti2'
_chemical_name_systematic        'Ti2 S'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   11.35
_cell_length_b                   14.06
_cell_length_c                   3.32
_cell_volume                     529.809
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Owens_ACCRA9_1967_1380.cif
_cod_data_source_block           S1Ti2
_cod_original_formula_sum        'S1 Ti2'
_cod_database_code               2310457
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
x-1/2,-y-1/2,z-1/2
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
S3 S 0.6841 0.3498 0 1 0.0
Ti4 Ti 0.4696 0.3904 0 1 0.0
Ti1 Ti 0.1543 0.0206 0 1 0.0
S2 S 0.2451 0.4124 0 1 0.0
Ti2 Ti 0.0867 0.2553 0 1 0.0
Ti5 Ti 0.8073 0.2078 0 1 0.0
Ti6 Ti 0.8797 0.4221 0 1 0.0
Ti3 Ti 0.5881 0.0797 0 1 0.0
S1 S 0.432 0.2068 0 1 0.0
