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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/46/1534600.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_1534600
loop_
_publ_author_name
'Antipov, E.V.'
'Shpanchenko, R.V.'
'Lykova, L.N.'
'Kovba, L.M.'
_publ_section_title
;
 Crystal structure of alpha-Ba2 Sc Al O5
;
_journal_name_full               Kristallografiya
_journal_page_first              213
_journal_page_last               214
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Al Ba2 O5 Sc'
_chemical_name_systematic        'Ba2 Sc Al O5'
_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            3
_cell_length_a                   5.7733
_cell_length_b                   5.7733
_cell_length_c                   14.53
_cell_volume                     419.416
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Antipov_KRISAJ_1990_961.cif
_cod_data_source_block           Al1Ba2O5Sc1
_cod_original_cell_volume        419.4155
_cod_original_formula_sum        'Al1 Ba2 O5 Sc1'
_cod_database_code               1534600
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
O1 O-2 0.169 0.338 0.0879 1 0.0
Ba2 Ba+2 0.3333 0.6667 0.58269 1 0.0
Sc1 Sc+3 0 0 0 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
Sc2 Sc+3 0.3333 0.6667 0.1385 0.25 0.0
Al1 Al+3 0.3333 0.6667 0.1385 0.75 0.0
O2 O-2 0.489 0.978 0.25 0.5 0.0
