#------------------------------------------------------------------------------
#$Date: 2017-01-23 08:44:26 +0200 (Mon, 23 Jan 2017) $
#$Revision: 190831 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/51/1545122.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_1545122
loop_
_publ_author_name
'Kato, E.'
'Daimon, K.'
_publ_section_title
;
 Crystal structure of anhydrous aluminum sulfate
;
_journal_name_full               Yogyo-Kyokai-Shi
_journal_page_first              590
_journal_page_last               595
_journal_volume                  87
_journal_year                    1979
_chemical_formula_sum            'Al2 O12 S3'
_chemical_name_common            Al2(SO4)3
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.03200
_cell_length_b                   8.03200
_cell_length_c                   21.36000
_cell_volume                     1193.381
_cod_data_source_file            Al2S3O12.cif
_cod_data_source_block           Al2S3O12
_cod_original_formula_sum        'Al2 S3 O12'
_cod_database_code               1545122
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'x+2/3, y+1/3, z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Al1 1.0 0.000000 0.000000 0.144000 Biso 1.000000 Al
Al2 1.0 0.000000 0.000000 0.356000 Biso 1.000000 Al
S 1.0 0.295000 0.279000 0.256000 Biso 1.000000 S
O1 1.0 0.192000 0.171000 0.202000 Biso 1.000000 O
O2 1.0 0.496000 0.354000 0.247000 Biso 1.000000 O
O3 1.0 0.258000 0.434000 0.265000 Biso 1.000000 O
O4 1.0 0.233000 0.158000 0.310000 Biso 1.000000 O
