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#$Date: 2015-07-13 07:07:42 +0300 (Mon, 13 Jul 2015) $
#$Revision: 149945 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/64/2106435.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106435
loop_
_publ_author_name
'Shannon, J.'
'Katz, L.'
_publ_section_title
;
 A Refinement of the structure of barium tantalum oxide, Ba5 Ta4 O15
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              102
_journal_page_last               105
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Ba5 O15 Ta4'
_chemical_name_systematic        'Ba5 Ta4 O15'
_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                   5.776
_cell_length_b                   5.776
_cell_length_c                   11.82
_cell_volume                     341.509
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Shannon_ACBCAR_1970_1789.cif
_cod_data_source_block           Ba5O15Ta4
_cod_original_cell_volume        341.5092
_cod_database_code               2106435
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
Ba3 Ba+2 0.3333 0.6667 0.4282 1 0.0
O3 O-2 0.1632 -0.1632 0.6136 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
Ba2 Ba+2 0.3333 0.6667 0.8837 1 0.0
O2 O-2 0.1695 -0.1695 0.1916 1 0.0
Ta1 Ta+5 0 0 0.6873 1 0.0
O1 O-2 0.5 0 0 1 0.0
Ta2 Ta+5 0.3333 0.6667 0.1035 1 0.0