#------------------------------------------------------------------------------
#$Date: 2015-07-12 17:50:28 +0200 (dom 12 de jul de 2015) $
#$Revision: 147251 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526136.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_1526136
loop_
_publ_author_name
'Nilsson, G.'
'Svensson, G.'
_publ_section_title
;
 X-ray powder diffraction and high-resolution electron microscopy studies
 of new intergrowth compounds between Ba (Nb, Zr) O3 and Nb O
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              67
_journal_page_last               77
_journal_volume                  314
_journal_year                    2001
_chemical_formula_sum            'Ba3 Nb4.8 O12 Zr1.2'
_chemical_name_systematic        'Ba3 (Nb4.8 Zr1.2) O12'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.1725
_cell_length_b                   4.1725
_cell_length_c                   16.429
_cell_volume                     286.025
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Nilsson_JALCEU_2001_1137.cif
_cod_data_source_block           Ba3Nb4.8O12Zr1.2
_cod_original_cell_volume        286.0249
_cod_database_code               1526136
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,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,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
Nb1 Nb+2 0 0.5 0 1 0.0
Ba2 Ba+2 0 0 0.5 1 0.0
Nb3 Nb+2 0.5 0.5 0.375 0.4 0.0
O5 O-2 0.5 0.5 0.5 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
Nb2 Nb+2 0.5 0.5 0.125 1 0.0
Zr1 Zr+4 0.5 0.5 0.375 0.6 0.0
O3 O-2 0.5 0.5 0.25 1 0.0
O2 O-2 0 0.5 0.125 1 0.0
O1 O-2 0 0 0 1 0.0
O4 O-2 0 0.5 0.375 1 0.0
