#------------------------------------------------------------------------------
#$Date: 2015-09-29 08:44:41 +0300 (Tue, 29 Sep 2015) $
#$Revision: 158907 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002554.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_4002554
loop_
_publ_author_name
'Jha, P.'
'Bobev, S.'
'Subbanna, G.N.'
'Ganguli, A.K.'
_publ_section_title
;
 Nd2 Ba2 Ca Zn2 Ti3 O14.4: a new high dielectric constant oxide having a
 disordered (cubic) perovskite structure
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2229
_journal_page_last               2233
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Ba0.4 Ca0.2 Nd0.4 O2.898 Ti0.6 Zn0.4'
_chemical_name_systematic        '(Nd0.4 Ba0.4 Ca0.2) (Zn0.4 Ti0.6) O2.898'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.94263
_cell_length_b                   3.94263
_cell_length_c                   3.94263
_cell_volume                     61.286
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Jha_CMATEX_2003_322.cif
_cod_data_source_block           Ba0.4Ca0.2Nd0.4O2.898Ti0.6Zn0.4
_cod_original_cell_volume        61.28555
_cod_database_code               4002554
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
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
Nd1 Nd+3 0 0 0 0.4 0.0
Ba1 Ba+2 0 0 0 0.4 0.0
Ti1 Ti+4 0.5 0.5 0.5 0.6 0.0
Zn1 Zn+2 0.5 0.5 0.5 0.4 0.0
Ca1 Ca+2 0 0 0 0.2 0.0
O1 O-2 0 0.5 0.5 0.966 0.0
