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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/84/1528427.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_1528427
loop_
_publ_author_name
'Dan'ko, A.J.'
'Rom, M.A.'
'Kaltaev, K.S.'
'Sidelnikova, N.S.'
'Budnikov, A.T.'
'Nizhankovskiy, S.V.'
'Grin', Yu.'
_publ_section_title
;
 Transformation of the corundum structure upon high-temperature reduction
;
_journal_issue                   7
_journal_name_full               'Crystallography Reports'
_journal_page_first              1112
_journal_page_last               1118
_journal_paper_doi               10.1134/s1063774508070031
_journal_volume                  53
_journal_year                    2008
_chemical_formula_sum            'Al2 O3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.112
_cell_length_b                   3.112
_cell_length_c                   4.988
_cell_volume                     41.835
_citation_journal_id_ASTM        CYSTE3
_cod_data_source_file            Danko_CYSTE3_2008_1649.cif
_cod_data_source_block           Al2O3
_cod_original_cell_volume        41.83466
_cod_database_code               1528427
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
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
Al1 Al+3 0 0 0.25 1 0.0
O1 O-2 0.3333 0.6667 0.25 1 0.0
O2 O-2 0 0 0 0.5 0.0
