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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/7/11/75/7117503.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_7117503
loop_
_publ_author_name
'Lufaso, M.W.'
'Macquart, R.B.'
'Lee, Y.'
'Vogt, T.'
'zur Loye, H.C.'
_publ_section_title
;
 Pressure induced octahedral tilting distortion in Ba2 Y Ta O6
;
_journal_name_full               'Chemical Communications'
_journal_page_first              168
_journal_page_last               170
_journal_volume                  2006
_journal_year                    2006
_chemical_formula_sum            'Ba2 O6 Ta Y'
_chemical_name_systematic        'Ba2 Y Ta O6'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.42811
_cell_length_b                   8.42811
_cell_length_c                   8.42811
_cell_volume                     598.674
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            Lufaso_CHCOFS_2006_651.cif
_cod_data_source_block           Ba2O6Ta1Y1
_cod_original_cell_volume        598.6743
_cod_original_formula_sum        'Ba2 O6 Ta1 Y1'
_cod_database_code               7117503
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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
Y1 Y+3 0 0 0 1 0.0
Ta1 Ta+5 0.5 0.5 0.5 1 0.0
Ba1 Ba+2 0.25 0.25 0.25 1 0.0
O1 O-2 0.26 0 0 1 0.0
