#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/46/4124646.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_4124646
loop_
_publ_author_name
'Galasso, F.'
'Katz, L.'
'Barrante, J.R.'
_publ_section_title
;
 Alkaline earth-tantalum-oxygen phases including the crystal structure of
 an ordered perovskite compound, Ba3 Sr Ta2 O9
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2830
_journal_page_last               2832
_journal_volume                  83
_journal_year                    1961
_chemical_formula_sum            'Ba3 O9 Sr Ta2'
_chemical_name_systematic        'Ba3 Sr Ta2 O9'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.95
_cell_length_b                   5.95
_cell_length_c                   7.47
_cell_volume                     229.026
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Galasso_JACSAT_1961_1923.cif
_cod_data_source_block           Ba3O9Sr1Ta2
_cod_original_cell_volume        229.0262
_cod_original_formula_sum        'Ba3 O9 Sr1 Ta2'
_cod_database_code               4124646
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,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
Ta1 Ta+5 0.3333 0.6667 0.1667 1 0.0
O1 O-2 0.1667 -0.1667 0.3333 1 0.0
Sr1 Sr+2 0 0 0.5 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O2 O-2 0.5 0 0 1 0.0
Ba2 Ba+2 0.3333 0.6667 0.6667 1 0.0
