#------------------------------------------------------------------------------
#$Date: 2019-04-09 03:11:09 +0200 (mar 09 de abr de 2019) $
#$Revision: 214558 $
#$URL: svn://www.crystallography.net/cod/cif/1/55/08/1550865.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_1550865
loop_
_publ_author_name
'Fukuda, K.'
'Fukushima, K.'
_publ_section_title
;
 Crystal structure of hexagonal SrAl2O4 at 1073 K
;
_journal_name_full               'Journal of Sold State Chemistry'
_journal_page_first              2709
_journal_page_last               2714
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Al2 O4 Sr'
_chemical_name_common            SrAl2O4
_space_group_IT_number           173
_space_group_name_H-M_alt        'P 63'
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.9260(3)
_cell_length_b                   8.9260(3)
_cell_length_c                   8.4985(2)
_cell_volume                     586.39(3)
_cod_data_source_file            SrAl2O4.cif
_cod_data_source_block           SrAl2O4
_cod_original_formula_sum        'Sr Al2 O4'
_cod_database_code               1550865
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, 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
Sr1 1.0 0.000000 0.000000 0.000000 Biso 3.1(2) Sr
Sr2 1.0 0.333333 0.666667 -0.0100(10) Biso 3.2(1) Sr
Sr3 1.0 0.333333 0.666667 0.4920(10) Biso 3.2(1) Sr
Al1 1.0 0.332(2) 0.337(3) 0.685(3) Biso 1.8(2) Al
Al2 1.0 0.328(2) 0.335(3) 0.293(2) Biso 2.6(3) Al
O1 1.0 0.289(2) 0.356(3) 0.510(4) Biso 6.3(5) O
O2 1.0 0.248(2) 0.126(2) 0.2980(10) Biso 1.3(5) O
O3 1.0 0.215(4) 0.790(5) 0.239(2) Biso 4.2(10) O
O4 1.0 0.549(3) 0.093(4) 0.2630(10) Biso 2.7(9) O
