#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528782.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_1528782
loop_
_publ_author_name
'Packer, R.J.'
'Stuart, P.A.'
'Skinner, S.J.'
_publ_section_title
;
 Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid
 solutions series: in-situ high-temperature powder diffraction studies
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1445
_journal_page_last               1455
_journal_volume                  181
_journal_year                    2008
_chemical_formula_sum            'Ce0.22 La0.78 Nb O3.92'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3831
_cell_length_b                   5.3831
_cell_length_c                   11.6114
_cell_volume                     336.472
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Packer_JSSCBI_2008_1537.cif
_cod_data_source_block           Ce0.22La0.78Nb1O3.92
_cod_original_cell_volume        336.4724
_cod_original_formula_sum        'Ce0.22 La0.78 Nb1 O3.92'
_cod_database_code               1528782
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+1/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+3/4
-x,-y,-z
y-3/4,-x-1/4,-z-1/4
x-1/2,y,-z-1/2
-y-3/4,x-3/4,-z-3/4
x+1/2,y+1/2,z+1/2
-y+5/4,x+3/4,z+3/4
-x+1,-y+1/2,z+1
y+5/4,-x+5/4,z+5/4
-x+1/2,-y+1/2,-z+1/2
y-1/4,-x+1/4,-z+1/4
x,y+1/2,-z
-y-1/4,x-1/4,-z-1/4
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
O1 O-2 0.1606 0.4968 0.2101 0.98 0.0
Nb1 Nb+4 0 0.25 0.125 1 0.0
La1 La+3 0 0.25 0.625 0.78 0.0
Ce1 Ce+3 0 0.25 0.625 0.22 0.0
