#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531922.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_1531922
loop_
_publ_author_name
'Murayama, M.'
'Kanno, R.'
'Kawamoto, Y.'
'Kamiyama, T.'
_publ_section_title
;
 Structure of the thio-LISICON, Li4 Ge S4
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              789
_journal_page_last               794
_journal_volume                  154
_journal_year                    2002
_chemical_formula_sum            'Ge Li4 S4'
_chemical_name_systematic        'Li4 Ge S4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.034
_cell_length_b                   7.7548
_cell_length_c                   6.15023
_cell_volume                     669.335
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Murayama_SSIOD3_2002_874.cif
_cod_data_source_block           Ge1Li4S4
_cod_original_cell_volume        669.3348
_cod_original_formula_sum        'Ge1 Li4 S4'
_cod_database_code               1531922
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
Li1 Li+1 0.4127 0.75 0.3685 1 0.0
Ge1 Ge+4 0.41078 0.25 0.3506 1 0.0
Li3 Li+1 0 0 0.5 1 0.0
S1 S-2 0.3428 0.0149 0.2242 1 0.0
S2 S-2 0.0871 0.75 0.2034 1 0.0
S3 S-2 0.061 0.25 0.2685 1 0.0
Li2 Li+1 0.1768 -0.0027 0.3003 1 0.0
