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#$Date: 2015-09-05 14:40:25 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154472 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/98/1529826.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_1529826
loop_
_publ_author_name
'Dunn, B.'
'Schwarz, B.B.'
'Thomas, J.O.'
'Morgan, P.E.D.'
_publ_section_title
;
 Preparation and structure of Li-stabilized Na+ beta''-alumina single
 crystals
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              301
_journal_page_last               305
_journal_volume                  28
_journal_year                    1988
_chemical_formula_sum            'Al10.66 Li0.34 Na1.6 O17'
_chemical_name_systematic        'Na1.6 Li0.34 Al10.66 O17'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.6061
_cell_length_b                   5.6061
_cell_length_c                   33.7376
_cell_volume                     918.262
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Dunn_SSIOD3_1988_1695.cif
_cod_data_source_block           Al10.66Li0.34Na1.6O17
_cod_original_cell_volume        918.2617
_cod_database_code               1529826
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
x+2/3,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
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+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
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,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
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+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
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
O2 O-2 0 0 0.29591 1 0.0
Li3 Li+1 0 0 -0.44981 0.025 0.0
Li2 Li+1 0 0 -0.35024 0.129 0.0
Al1 Al+3 0 0 0 1 0.0
Na1 Na+1 0.1049 0.0524 0.1711 0.268 0.0
Al5 Al+3 0 0 0.44981 0.5 0.0
O1 O-2 0.1553 0.3106 0.03405 1 0.0
Al6 Al+3 0 0 -0.44981 0.476 0.0
Al3 Al+3 0 0 -0.35024 0.372 0.0
O4 O-2 0.16352 0.32704 0.23559 1 0.0
Al2 Al+3 0 0 0.35024 0.484 0.0
O3 O-2 0 0 0.09636 1 0.0
Li1 Li+1 0 0 0.35024 0.017 0.0
Al4 Al+3 0.33616 0.16808 0.07053 1 0.0
O5 O-2 0.33333 0.66667 0.16667 1 0.0
