#------------------------------------------------------------------------------
#$Date: 2015-07-13 22:07:10 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150851 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/84/1528499.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_1528499
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 Nd O6'
_chemical_name_systematic        'Ba2 Nd Nb O6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.134
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.07918
_cell_length_b                   6.04547
_cell_length_c                   8.53909
_cell_volume                     313.824
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Fu_JSSCBI_2006_1000.cif
_cod_data_source_block           Ba2Nb1Nd1O6
_cod_cif_authors_sg_Hall         '-C 2y (x,y,-x+z)'
_cod_original_cell_volume        313.8235
_cod_chemical_formula_sum_orig   'Ba2 Nb1 Nd1 O6'
_cod_database_code               1528499
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,-y+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 0.219 0.266 0.026 1 0.0
Nd1 Nd+3 0.5 0 0 1 0.0
O1 O-2 0.547 0 0.276 1 0.0
Nb1 Nb+5 0 0.5 0 1 0.0
Ba1 Ba+2 0.4981 0.5 0.2509 1 0.0