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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/1/52/85/1528501.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_1528501
loop_
_publ_author_name
'Fu, W.T.'
'Ijdo, D.J.W.'
_publ_section_title
;
 New insight into the symmetry and the structure of the double perovskites
 Ba2 Ln Nb O6 (Ln = lanthanides and Y)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1022
_journal_page_last               1028
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ba2 Nb O6 Tb'
_chemical_name_systematic        'Ba2 Tb Nb 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                   5.98428
_cell_length_b                   5.98428
_cell_length_c                   8.48173
_cell_volume                     303.744
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fu_JSSCBI_2006_1002.cif
_cod_data_source_block           Ba2Nb1O6Tb1
_cod_original_cell_volume        303.7444
_cod_original_formula_sum        'Ba2 Nb1 O6 Tb1'
_cod_database_code               1528501
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
Nb1 Nb+5 0 0 0.5 1 0.0
O2 O-2 0.242 0.292 0 1 0.0
Ba1 Ba+2 0 0.5 0.25 1 0.0
O1 O-2 0 0 0.271 1 0.0
Tb1 Tb+3 0 0 0 1 0.0
