#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/75/7117504.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_7117504
loop_
_publ_author_name
'Lufaso, M.W.'
'Vogt, T.'
'Lee, Y.'
'Macquart, R.B.'
'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           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.8851
_cell_length_b                   5.8851
_cell_length_c                   8.3474
_cell_volume                     289.107
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            Lufaso_CHCOFS_2006_654.cif
_cod_data_source_block           Ba2O6Ta1Y1
_cod_original_cell_volume        289.1072
_cod_original_formula_sum        'Ba2 O6 Ta1 Y1'
_cod_database_code               7117504
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
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
O2 O-2 0.242 0.278 0 1 0.0
Ta1 Ta+5 0.5 0.5 0 1 0.0
O1 O-2 0 0 0.269 1 0.0
Y1 Y+3 0 0 0 1 0.0
Ba1 Ba+2 0 0.5 0.25 1 0.0
