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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/91/1529100.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_1529100
loop_
_publ_author_name
'Barker, W.W.'
'Garrett, W.'
'Bailey, F.P.'
_publ_section_title
;
 A High-Temperature Neutron Diffraction Study of Pure and
 Scandia-Stabilized Zirconia
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              448
_journal_page_last               453
_journal_volume                  7
_journal_year                    1973
_chemical_formula_sum            'O1.95 Sc0.1 Zr0.9'
_chemical_name_systematic        'Zr.900 Sc.100 O1.950'
_space_group_IT_number           137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.64
_cell_length_b                   3.64
_cell_length_c                   5.27
_cell_volume                     69.825
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Barker_JSSCBI_1973_90.cif
_cod_data_source_block           O1.95Sc0.1Zr0.9
_cod_original_cell_volume        69.82539
_cod_original_sg_symbol_Hall     '-P 4ac 2a (x-1/4,y+1/4,z+1/4)'
_cod_database_code               1529100
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x+1/2,-y+1/2,-z+1/2
y,-x,-z
x+1/2,y+1/2,-z+1/2
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z+1/2
x,-y,z
y+1/2,x+1/2,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
Zr1 Zr+4 0 0 0 0.9 0.0
O1 O-2 0 0.5 0.212 0.975 0.0
Sc1 Sc+3 0 0 0 0.1 0.0