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#$Date: 2015-09-05 11:12:01 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154330 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529723.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_1529723
loop_
_publ_author_name
'Carillo-Cabrera, W.'
'Thomas, J.O.'
'Farrington, G.C.'
_publ_section_title
;
 The structure of the lanthanide Gd3+, Eu3+ and Nd3+ beta''- aluminas
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              317
_journal_page_last               323
_journal_volume                  28
_journal_year                    1988
_chemical_formula_sum            'Al10.139 Nd0.542 O16.116'
_chemical_name_systematic        'Nd0.542 Al10.139 O16.116'
_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                   5.628
_cell_length_b                   5.628
_cell_length_c                   33.259
_cell_volume                     912.322
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Carillo-Cabrera_SSIOD3_1988_1738.cif
_cod_data_source_block           Al10.139Nd0.542O16.116
_cod_original_cell_volume        912.3216
_cod_database_code               1529723
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
O1 O-2 0.15367 0.30734 0.03485 0.932 0.0
Al2 Al+3 0 0 0.35029 0.5 0.0
Nd2 Nd+3 0.33333 0.16667 0.16667 0.172 0.0
Al1 Al+3 0 0 0 0.929 0.0
O2 O-2 0 0 0.29455 1 0.0
Nd1 Nd+3 0 0 -0.1747 0.013 0.0
O5 O-2 -0.3765 -0.753 -0.16667 0.167 0.0
Al5 Al+3 0 0 0.45022 0.905 0.0
Al4 Al+3 0.3345 0.16725 0.07204 0.928 0.0
O4 O-2 0.16303 0.32606 0.23405 0.937 0.0
Al3 Al+3 0 0 -0.35029 0.416 0.0
O3 O-2 0 0 0.0988 0.95 0.0
