#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526194.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_1526194
loop_
_publ_author_name
'Grzechnik, A.'
'Syassen, K.'
'Vegas, A.'
'Hanfland, M.'
'Loa, I.'
'Jansen, M.'
_publ_section_title
;
 Reversible antifluorite to anticotunnite phase transition in Li2 S at
 high pressures
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              603
_journal_page_last               611
_journal_volume                  154
_journal_year                    2000
_chemical_formula_sum            'Li2 S'
_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                   5.7353
_cell_length_b                   3.5448
_cell_length_c                   6.6861
_cell_volume                     135.932
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Grzechnik_JSSCBI_2000_26.cif
_cod_data_source_block           Li2S1
_cod_original_cell_volume        135.9317
_cod_original_formula_sum        'Li2 S1'
_cod_database_code               1526194
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
S1 S-2 0.7559 0.25 0.6075 1 0.0
Li1 Li+1 0.1535 0.25 0.5735 1 0.0
Li2 Li+1 0.5 0.25 0.321 1 0.0
