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#$Date: 2015-10-05 11:56:45 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159712 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/34/1533467.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_1533467
loop_
_publ_author_name
'Animitsa, I.'
'Neiman, A.'
'Kochetova, N.'
'Melekh, B.'
'Sharafutdinov, A.'
_publ_section_title
;
 Proton and oxygen-ion conductivity of Ba4 Ca2 Nb2 O11
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              63
_journal_page_last               71
_journal_volume                  162
_journal_year                    2003
_chemical_formula_sum            'Ba3.86 Ca2.31 Nb2 O11.11'
_chemical_name_systematic        'Ba3.86 Ca2.31 (Nb2 O11.11)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.4449
_cell_length_b                   8.4449
_cell_length_c                   8.4449
_cell_volume                     602.259
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Animitsa_SSIOD3_2003_923.cif
_cod_data_source_block           Ba3.86Ca2.31Nb2O11.11
_cod_original_cell_volume        602.2592
_cod_database_code               1533467
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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
Ba1 Ba+2 0.25 0.25 0.25 0.964 0.0
Nb1 Nb+4 0 0 0 1 0.0
Ca1 Ca+2 0 0 0.5 1.154 0.0
O1 O-2 0.243 0 0 0.926 0.0
