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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/1/53/38/1533882.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_1533882
loop_
_publ_author_name
'Khalyavin, D.D.'
'Balagurov, A.M.'
'Beskrovnyi, A.I.'
'Troyanchuk, I.O.'
'Sazonov, A.P.'
'Tsipis, E.V.'
'Kharton, V.V.'
_publ_section_title
;
 Neutron powder diffraction study of Tb Ba Co2-x Fex O5+g layered oxides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2068
_journal_page_last               2072
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ba Co1.76 Fe0.24 O5.364 Tb'
_chemical_name_systematic        'Tb Ba (Co1.76 Fe0.24 O5.364)'
_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            9
_cell_length_a                   11.694
_cell_length_b                   11.694
_cell_length_c                   7.5461
_cell_volume                     1031.926
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Khalyavin_JSSCBI_2004_1742.cif
_cod_data_source_block           Ba1Co1.76Fe0.24O5.364Tb1
_cod_original_cell_volume        1031.927
_cod_original_formula_sum        'Ba1 Co1.76 Fe0.24 O5.364 Tb1'
_cod_database_code               1533882
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
Co2 Co+2 0.1667 0.1667 0.239 0.88 0.0
Tb3 Tb+3 0.3333 0.3333 0.5 1 0.0
Ba3 Ba+2 0.6667 0 0 1 0.0
O1 O-2 0.1667 0.1667 0 1 0.0
Fe3 Fe+3 0.1667 0.5 0.27 0.12 0.0
Fe1 Fe+3 0.5 0.5 0.27 0.12 0.0
O7 O-2 0.3333 0.5 0.3 1 0.0
O9 O-2 0.5 0.1667 0.5 0.087 0.0
O3 O-2 0.5 0.5 0 1 0.0
O5 O-2 0.1667 0 0.3 1 0.0
O2 O-2 0.1667 0.5 0 1 0.0
O6 O-2 0 0.5 0.3 1 0.0
Tb1 Tb+3 0 0 0.5 1 0.0
O4 O-2 0.1667 0.3333 0.3 1 0.0
Tb2 Tb+3 0.6667 0 0.5 1 0.0
Co3 Co+2 0.1667 0.5 0.27 0.88 0.0
Ba2 Ba+2 0.3333 0.3333 0 1 0.0
Co1 Co+2 0.5 0.5 0.27 0.88 0.0
O8 O-2 0.1667 0.1667 0.5 0.732 0.0
Fe2 Fe+3 0.1667 0.1667 0.239 0.12 0.0
Ba1 Ba+2 0 0 0 1 0.0
