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#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/38/1533887.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_1533887
loop_
_publ_author_name
'Kipkoech, E.R.'
'Azough, F.'
'Thompson, S.P.'
'Leach, C.'
'Freer, R.'
'Tang, C.C.'
_publ_section_title
;
 Structural study of Ca0.7 Nd0.3 Ti0.7 Al0.3 O3 dielectric ceramics using
 synchrotron X-ray diffraction
;
_journal_name_full               'Journal of the European Ceramic Society'
_journal_page_first              2677
_journal_page_last               2682
_journal_volume                  23
_journal_year                    2003
_chemical_formula_sum            'Al0.3 Ca0.7 Nd0.3 O3 Ti0.7'
_chemical_name_systematic        '(Ca0.7 Nd0.3) (Ti0.7 Al0.3) O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3803
_cell_length_b                   5.4003
_cell_length_c                   7.614
_cell_volume                     221.227
_citation_journal_id_ASTM        JECSER
_cod_data_source_file            Kipkoech_JECSER_2003_123.cif
_cod_data_source_block           Al0.3Ca0.7Nd0.3O3Ti0.7
_cod_original_cell_volume        221.2265
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1533887
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
Ca1 Ca+2 -0.0033 0.0251 0.25 0.7 0.0
Al1 Al+3 0 0.5 0 0.3 0.0
Ti1 Ti+4 0 0.5 0 0.7 0.0
O2 O-2 0.718 0.2821 0.0369 1 0.0
Nd1 Nd+3 -0.0033 0.0251 0.25 0.3 0.0
O1 O-2 0.0629 0.4894 0.25 1 0.0
