#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533510.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_1533510
loop_
_publ_author_name
'Takada, K.'
'Michiue, Y.'
'Inada, T.'
'Kajiyama, A.'
'Tabuchi, M.'
'Kouguchi, M.'
'Watanabe, M.'
'Kondo, S.'
_publ_section_title
;
 Lithium iron thio-phosphate: a new 3 V sulfide cathode
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              257
_journal_page_last               263
_journal_volume                  159
_journal_year                    2003
_chemical_formula_sum            'Fe Li2 P2 S6'
_chemical_name_systematic        'Li2 Fe (P2 S6)'
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.0145
_cell_length_b                   6.0145
_cell_length_c                   6.56
_cell_volume                     205.510
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Takada_SSIOD3_2003_914.cif
_cod_data_source_block           Fe1Li2P2S6
_cod_original_cell_volume        205.5103
_cod_original_formula_sum        'Fe1 Li2 P2 S6'
_cod_database_code               1533510
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
Li1 Li+1 0.3333 0.6667 0.5 0.5 0.0
Li2 Li+1 0.3333 0.6667 0 0.5 0.0
Fe1 Fe+2 0.3333 0.6667 0.5 0.5 0.0
S1 S-2 0.3321 0 0.2573 1 0.0
P1 P+4 0 0 0.3311 1 0.0
