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#$Date: 2015-09-12 18:38:53 +0200 (Sat 12 de Sep de 2015) $
#$Revision: 156209 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530967.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_1530967
loop_
_publ_author_name
'Wada, H.'
'Onoda, M.'
_publ_section_title
;
 Phase relations in the Ti-Mo-S system: The structures of (Mo1-x Tix)2+y
 S3 and Ti3 Mo.75 S5
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              205
_journal_page_last               216
_journal_volume                  135
_journal_year                    1987
_chemical_formula_sum            'Mo0.9492 S3 Ti1.3108'
_chemical_name_systematic        '(Mo.42 Ti.58)2.26 S3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.47
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.0175
_cell_length_b                   3.343
_cell_length_c                   8.7666
_cell_volume                     172.193
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Wada_JCOMAH_1987_1465.cif
_cod_data_source_block           Mo0.9492S3Ti1.3108
_cod_database_code               1530967
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-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
Ti2 Ti+2 0.1152 0.25 0.6383 0.526 0.0
Mo1 Mo+2 0.3108 0.25 0.0083 0.474 0.0
S2 S-2 0.9734 0.25 0.1611 1 0.0
S3 S-2 0.7443 0.25 0.5009 1 0.0
Ti3 Ti+2 0.3743 0.25 0.3397 0.263 0.0
Mo2 Mo+2 0.1152 0.25 0.6383 0.474 0.0
S1 S-2 0.5189 0.25 0.8134 1 0.0
Ti1 Ti+2 0.3108 0.25 0.0083 0.526 0.0
