#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002284.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_2002284
loop_
_publ_author_name
'Schulze, A R'
'Mueller-Buschbaum, Hk'
_publ_section_title              'Zur Struktur von monoklinem Sr Al2 O4'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              205
_journal_page_last               210
_journal_paper_doi               10.1002/zaac.19814750423
_journal_volume                  475
_journal_year                    1981
_chemical_formula_structural     'Sr Al2 O4'
_chemical_formula_sum            'Al2 O4 Sr'
_chemical_name_systematic        'Strontium dialuminium oxide'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.42
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.447
_cell_length_b                   8.816
_cell_length_c                   5.163
_cell_volume                     383.8
_refine_ls_R_factor_all          0.096
_cod_database_code               2002284
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sr1 Sr2+ 2 a 0.4905 0. 0.2507 1. 0 d
Sr2 Sr2+ 2 a 0.0292 0.9929 0.202 1. 0 d
Al1 Al3+ 2 a 0.1895 0.8314 0.7158 1. 0 d
Al2 Al3+ 2 a 0.7997 0.8394 0.7287 1. 0 d
Al3 Al3+ 2 a 0.7087 0.6685 0.2236 1. 0 d
Al4 Al3+ 2 a 0.6809 0.1707 0.7975 1. 0 d
O1 O2- 2 a 0.265 0.174 0.436 1. 0 d
O2 O2- 2 a 0.736 0.316 0.589 1. 0 d
O3 O2- 2 a 0.327 0.493 0.345 1. 0 d
O4 O2- 2 a 0.265 0.984 0.898 1. 0 d
O5 O2- 2 a 0.174 0.297 0.936 1. 0 d
O6 O2- 2 a 0.206 0.669 0.906 1. 0 d
O7 O2- 2 a 0.487 0.219 0.876 1. 0 d
O8 O2- 2 a 0.99 0.888 0.651 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Al3+ 3.000
O2- -2.000
