#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/88/1528885.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_1528885
loop_
_publ_author_name
'Simon, A.'
'Peters, K.'
'Peters, E.M.'
_publ_section_title
;
 Die Kristallstruktur von Li Al Cl4 (S O2)3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              94
_journal_page_last               100
_journal_volume                  469
_journal_year                    1980
_chemical_formula_sum            'Al Cl4 Li O6 S3'
_chemical_name_systematic        'Li Al Cl4 (S O2)3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.516
_cell_length_b                   13.271
_cell_length_c                   10.174
_cell_volume                     1284.842
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Simon_ZAACAB_1980_41.cif
_cod_data_source_block           Al1Cl4Li1O6S3
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Al1 Cl4 Li1 O6 S3'
_cod_database_code               1528885
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-z-1/2
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
Cl2 Cl-1 0.2081 0.2132 0.25 1 0.0
O1 O-2 0.507 0.1798 0.5905 1 0.0
O2 O-2 0.2495 0.1822 0.6045 1 0.0
O4 O-2 0.9947 0.1267 0.75 1 0.0
Cl3 Cl-1 0.5636 0.0465 0.25 1 0.0
Cl1 Cl-1 0.873 0.0919 0.4207 1 0.0
S1 S+4 0.8753 0.0621 0.75 1 0.0
O3 O-2 0.7413 0.108 0.75 1 0.0
S2 S+4 0.3742 0.1492 0.5393 1 0.0
Li1 Li+1 0.1242 0.2563 0.75 1 0.0
Al1 Al+3 0.7562 0.1307 0.25 1 0.0
