#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007995.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007995
loop_
_publ_author_name
'Nakatsuka, A.'
'Ohtaka, O.'
'Arima, H.'
'Nakayama, N.'
'Mizota, T.'
_publ_section_title
;
 Cubic phase of single-crystal LaAlO3 perovskite synthesized at
 4.5 GPa and 1273 K
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i148
_journal_page_last               i150
_journal_paper_doi               10.1107/S1600536805020441
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     LaAlO3
_chemical_formula_sum            'Al La O3'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7913
_cell_length_b                   3.7913
_cell_length_c                   3.7913
_cell_formula_units_Z            1
_cell_volume                     54.496
_exptl_crystal_density_diffrn    6.517
_exptl_crystal_pressure_history  'synthesized at 4.5 GPa'
_exptl_crystal_thermal_history   'synthesized at 4.5 GPa and 1273 K'
_cod_original_formula_sum        'La Al O3'
_cod_database_code               9007995
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
-z,x,-y
y,-z,x
-x,y,-z
x,-z,-y
-z,y,x
y,-x,-z
-x,z,y
z,-y,-x
-y,x,z
x,z,y
-z,-y,-x
y,x,z
-x,-z,-y
z,y,x
-y,-x,-z
z,x,-y
-y,-z,x
x,y,-z
-z,-x,y
y,z,-x
-x,-y,z
-z,x,y
y,-z,-x
-x,y,z
z,-x,-y
-y,z,x
x,-y,-z
-x,z,-y
z,-y,x
-y,x,-z
x,-z,y
-z,y,-x
y,-x,z
-x,-z,y
z,y,-x
-y,-x,z
x,z,-y
-z,-y,x
y,x,-z
-z,-x,-y
y,z,x
-x,-y,-z
z,x,y
-y,-z,-x
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
La 0.00430 0.00430 0.00430 0.00000 0.00000 0.00000
Al 0.00380 0.00380 0.00380 0.00000 0.00000 0.00000
O 0.00270 0.01970 0.01970 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
La 0.00000 0.00000 0.00000 0.00430
Al 0.50000 0.50000 0.50000 0.00377
O 0.00000 0.50000 0.50000 0.01400
_cod_duplicate_entry 2206576
