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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/48/1524853.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_1524853
loop_
_publ_author_name
'Marezio, M.'
'Dernier, P.D.'
'Remeika, J.P.'
_publ_section_title
;
 The crystal structures of orthorhombic Sm Al O3 and of trigonal Nd Al O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              11
_journal_page_last               19
_journal_volume                  4
_journal_year                    1972
_chemical_formula_sum            'Al O3 Sm'
_chemical_name_systematic        'Sm (Al O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2912
_cell_length_b                   5.2904
_cell_length_c                   7.474
_cell_volume                     209.216
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Marezio_JSSCBI_1972_1808.cif
_cod_data_source_block           Al1O3Sm1
_cod_original_cell_volume        209.2164
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Al1 O3 Sm1'
_cod_database_code               1524853
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
O1 O-2 0.0644 0.4903 0.25 1 0.0
O2 O-2 -0.2766 0.277 0.0335 1 0.0
Sm1 Sm+3 -0.00501 0.02402 0.25 1 0.0
Al1 Al+3 0 0.5 0 1 0.0
