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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533555.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_1533555
loop_
_publ_author_name
'Skinner, S.J.'
'Palmer, H.M.'
'Raj, E.S.'
'Kilner, J.A.'
_publ_section_title
;
 Structural studies of cerium tantalates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2685
_journal_page_last               2690
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ce0.85 O3.74 Ta'
_chemical_name_systematic        'Ce0.85 (Ta O3.74)'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'A -2 2a'
_symmetry_space_group_name_H-M   'A 21 a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.64062
_cell_length_b                   14.81609
_cell_length_c                   3.93428
_cell_volume                     328.795
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Skinner_JSSCBI_2004_1802.cif
_cod_data_source_block           Ce0.85O3.74Ta1
_cod_original_cell_volume        328.7954
_cod_original_sg_symbol_Hall     'C 2c -2 (z,y,-x)'
_cod_original_formula_sum        'Ce0.85 O3.74 Ta1'
_cod_database_code               1533555
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z
x,y,-z
x+1/2,-y,z
x,y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
x+1/2,-y+1/2,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
O2 O-2 0.0605 0.53012 0 0.994 0.0
Ta1 Ta+4 0.2237 0.41515 0 1 0.0
O3 O-2 0.4519 0.66131 0 0.922 0.0
O4 O-2 0.2454 0.91395 0 0.92 0.0
O1 O-2 0.4282 0.30445 0 0.904 0.0
Ce1 Ce+3 0.186 0.16855 0 0.851 0.0
