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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/1/52/97/1529788.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_1529788
loop_
_publ_author_name
'Dahn, J.R.'
'McKinnon, W.R.'
'Haering, R.R.'
'Buyers, W.J.L.'
'Powell, B.M.'
_publ_section_title
;
 Structure determinatiom of LiX Ti S2 by neutron diffraction
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              207
_journal_page_last               213
_journal_volume                  58
_journal_year                    1980
_chemical_formula_sum            'Li S2 Ti'
_chemical_name_systematic        'Li Ti 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                   3.459
_cell_length_b                   3.459
_cell_length_c                   6.1879
_cell_volume                     64.117
_citation_journal_id_ASTM        CJPHAD
_cod_data_source_file            Dahn_CJPHAD_1980_515.cif
_cod_data_source_block           Li1S2Ti1
_cod_original_cell_volume        64.11728
_cod_original_formula_sum        'Li1 S2 Ti1'
_cod_database_code               1529788
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
Ti1 Ti+3 0 0 0 1 0.0
S1 S-2 0.33333 0.66667 0.238 1 0.0
Li1 Li+1 0 0 0.5 1 0.0
