#------------------------------------------------------------------------------
#$Date: 2015-07-06 23:39:59 +0200 (lun 06 de jul de 2015) $
#$Revision: 140527 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520942.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_1520942
loop_
_publ_author_name
'Chen, X.M.'
'Lu, G.L.'
'Yang, J.S.'
'Wu, Y.J.'
_publ_section_title
;
 Some tungsten-bronze compounds in the Ba O - Nd2 O3 - Ti O2 Ta2 O5 system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              438
_journal_page_last               441
_journal_volume                  148
_journal_year                    1999
_chemical_formula_sum            'Ba4 Nd2 O30 Ta6 Ti4'
_chemical_name_systematic        'Ba4 Nd2 Ti4 Ta6 O30'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.4007
_cell_length_b                   12.4007
_cell_length_c                   3.903
_cell_volume                     600.193
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Chen_JSSCBI_1999_411.cif
_cod_data_source_block           Ba4Nd2O30Ta6Ti4
_cod_database_code               1520942
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,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
O8 O-2 0.3613 0.436 0.5 1 0.0
Ti1 Ti+4 0.2134 0.0739 0.5 0.4 0.0
Ta2 Ta+5 0.4254 0.2848 0.5 0.6 0.0
O4 O-2 0 0.5 0 1 0.0
O5 O-2 0.0635 0.128 0.5 1 0.0
O3 O-2 0.4059 0.3086 0 1 0.0
Ti3 Ti+4 0.5 0 0.5 0.4 0.0
Ta1 Ta+5 0.2134 0.0739 0.5 0.6 0.0
Ba2 Ba+2 0.1663 0.3237 0 0.667 0.0
O1 O-2 0.2863 0.2186 0.5 1 0.0
Ba1 Ba+2 0 0 0 0.667 0.0
O7 O-2 0.004 0.3421 0.5 1 0.0
Ta3 Ta+5 0.5 0 0.5 0.6 0.0
O2 O-2 0.1549 0.4907 0.5 1 0.0
O6 O-2 0.2059 0.053 0 1 0.0
Ti2 Ti+4 0.4254 0.2848 0.5 0.4 0.0
Nd2 Nd+3 0.1663 0.3237 0 0.333 0.0
Nd1 Nd+3 0 0 0 0.333 0.0
