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#$Date: 2015-09-17 23:37:49 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156978 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/14/1531494.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_1531494
loop_
_publ_author_name
'Fuentes, M.E.'
'Fernandez, J.F.'
'Mehta, A.'
'Lascano, L.'
'Chianelli, R.R.'
'Fuentes, L.'
'Camacho, H.'
_publ_section_title
;
 The crystal structure of Ba Bi4 Ti4 O15
;
_journal_name_full               Ferroelectrics
_journal_page_first              159
_journal_page_last               164
_journal_volume                  269
_journal_year                    2002
_chemical_formula_sum            'Ba Bi4 O15 Ti4'
_chemical_name_systematic        'Ba Bi4 Ti4 O15'
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F 2 -2'
_symmetry_space_group_name_H-M   'F m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   41.857
_cell_length_b                   5.4551
_cell_length_c                   5.468
_cell_volume                     1248.531
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Fuentes_FEROA8_2002_1681.cif
_cod_data_source_block           Ba1Bi4O15Ti4
_cod_chemical_formula_sum_orig   'Ba1 Bi4 O15 Ti4'
_cod_database_code               1531494
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Ti2 Ti+4 0.35 0 0.008 1 0.0
Ba3 Ba+2 0.8942 0 0.03 0.25 0.0
O2 O-2 0.5438 0.25 0.239 1 0.0
Ba2 Ba+2 0 0 0.03 0.18 0.0
O6 O-2 0.6939 0 0 1 0.0
O5 O-2 0.3584 0.25 0.239 1 0.0
Bi3 Bi+3 0.8942 0 0.03 0.75 0.0
O4 O-2 0.4044 0 0 1 0.0
Bi1 Bi+3 0.2202 0 0.011 0.87 0.0
O1 O-2 0 0 0.5 1 0.0
Ba1 Ba+2 0.2202 0 0.011 0.13 0.0
Ti1 Ti+4 0.55 0 0.008 1 0.0
Bi2 Bi+3 0 0 0.03 0.82 0.0
O3 O-2 0.25 0.25 0.75 1 0.0