#------------------------------------------------------------------------------
#$Date: 2017-01-26 01:10:25 +0100 (jue 26 de ene de 2017) $
#$Revision: 190918 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/48/1544886.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_1544886
loop_
_publ_author_name
'Yamanaka, T.'
'Liebermann, R.C.'
'Prewitt, C.T.'
_publ_section_title
;
 Thermal expansion of alumnus perovskite ScAlO3 Sample: at 20 C
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              182
_journal_page_last               192
_journal_volume                  95
_journal_year                    2000
_chemical_formula_sum            'Al O3 Sc'
_chemical_name_common            ScAlO3
_chemical_name_mineral           'ScAlO3 perovskite'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P b n m'
_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                   4.9355(15)
_cell_length_b                   5.2313(13)
_cell_length_c                   7.2003(6)
_cell_volume                     185.91(7)
_diffrn_ambient_temperature      293.15
_cod_data_source_file            ScAlO3-20C.cif
_cod_data_source_block           ScAlO3-20C
_cod_depositor_comments
;I added _diffrn_ambient_temperature tag to make measured temperature
 apparent.
;
_cod_original_formula_sum        'Sc Al O3'
_cod_database_code               1544886
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, z'
'-x, -y, z+1/2'
'x, y, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Sc 1.0 -0.02060(10) 0.07010(10) 0.250000 Biso 0.521000 Sc
Al 1.0 0.000000 0.500000 0.500000 Biso 0.660000 Al
O1 1.0 0.1201(4) 0.4550(4) 0.250000 Biso 0.619000 O
O2 1.0 0.6909(4) 0.3059(4) 0.0611(2) Biso 0.649000 O
