#------------------------------------------------------------------------------
#$Date: 2015-10-07 13:58:31 +0200 (Wed 07 de Oct de 2015) $
#$Revision: 160693 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/41/1534182.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_1534182
loop_
_publ_author_name
'Aurivillius, B.'
_publ_section_title
;
 Mixed bismuth oxides with layer lattices. II. Structure of Bi4 Ti3 O12
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              499
_journal_page_last               512
_journal_volume                  1
_journal_year                    1949
_chemical_formula_sum            'Bi4 O12 Ti3'
_chemical_name_systematic        'Bi4 Ti3 O12'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.41
_cell_length_b                   5.448
_cell_length_c                   32.84
_cell_volume                     967.916
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Aurivillius_ARKEAD_1949_228.cif
_cod_data_source_block           Bi4O12Ti3
_cod_original_cell_volume        967.9156
_cod_database_code               1534182
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-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,-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,-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
-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
Bi2 Bi+3 0 0 0.211 1 0.0
Ti2 Ti+4 0 0 0.372 1 0.0
Bi1 Bi+3 0 0 0.067 1 0.0
Ti1 Ti+4 0 0 0.5 1 0.0
O4 O-2 0 0 0.308 1 0.0
O1 O-2 0.25 0.25 0 1 0.0
O3 O-2 0 0 0.436 1 0.0
O2 O-2 0.25 0.25 0.25 1 0.0
O5 O-2 0.25 0.25 0.128 1 0.0
