#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/12/2101260.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2101260
loop_
_publ_author_name
'Kahlenberg, V.'
'B\"ohm, H.'
_publ_section_title
;
 The structures of \a- and \b-Bi~2~Ti~4~O~11~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              11
_journal_page_last               18
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Bi2 O11 Ti4'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_beta                 136.135(5)
_cell_formula_units_Z            2
_cell_length_a                   14.6412(12)
_cell_length_b                   3.8032(3)
_cell_length_c                   10.7824(6)
_cell_volume                     416.1(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_[local]_cod_data_source_file    se0149.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Bi 0.25090(10) .0 .14210(10)
Ti(1) 0.4449(2) .0 .7828(2)
Ti(2) 0.0871(2) .0 .4667(2)
O(1) 0.4588(9) .5 .7582(11)
O(2) 0.4255(9) .0 .5704(12)
O(3) .5 .0 .0
O(4) 0.6036(7) .5 .6667(10)
O(5) 0.2728(8) .0 .6503(12)
O(6) 0.6558(8) .0 .9449(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ti(1) O(1) 1.9510(10)
Ti(1) O(5) 1.789(6)
Ti(2) O(1) 1.996(8)
Ti(2) O(4) 2.018(4)
Bi O(1) 3.146(8)
Bi O(3) 3.3680(10)
Bi O(5) 3.141(5)
Ti(1) O(1) 1.9510(10)
Ti(1) O(6) 2.095(7)
Ti(2) O(2) 1.9250(10)
Ti(2) O(5) 1.884(7)
Bi O(2) 3.292(9)
Bi O(4) 2.464(4)
Bi O(6) 2.143(4)
Ti(1) O(2) 2.095(7)
Ti(2) O(2) 1.9250(10)
Bi O(2) 3.299(7)
Bi O(4) 2.464(4)
Bi O(6) 2.410(5)
Ti(1) O(3) 1.8470(10)
Ti(2) O(4) 1.989(6)
Bi O(3) 3.3680(10)
Bi O(5) 3.141(5)
Bi O(6) 2.410(5)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Ti(1) O(1) O(1) 154.2(2)
Ti(1) O(1) O(3) 100.3(2)
Ti(1) O(1) O(5) 96.7(2)
Ti(1) O(2) O(3) 167.8(2)
Ti(1) O(3) O(5) 95.1(3)
Ti(2) O(1) O(2) 81.4(2)
Ti(2) O(1) O(4) 171.3(2)
Ti(2) O(2) O(4) 88.6(2)
Ti(2) O(2) O(4) 98.3(2)
Ti(2) O(4) O(4) 78.3(3)
Ti(1) O(1) O(2) 78.3(2)
TI(1) O(1) O(3) 100.3(2)
Ti(1) O(1) O(6) 83.3(2)
Ti(1) O(2) O(6) 82.8(3)
Ti(1) O(3) O(6) 85.0(2)
Ti(2) O(1) O(2) 81.4(2)
Ti(2) O(1) O(5) 104.1(3)
Ti(2) O(2) O(4) 88.6(2)
Ti(2) O(2) O(5) 93.9(2)
Ti(2) O(4) O(5) 84.6(3)
TI(1) O(1) O(2) 78.3(2)
TI(1) O(1) O(5) 96.7(2)
TI(1) O(1) O(6) 83.3(2)
TI(1) O(2) O(5) 97.1(3)
TI(1) O(5) O(6) 180.0(3)
TI(2) O(1) O(4) 93.0(3)
TI(2) O(2) O(2) 162.9(3)
TI(2) O(2) O(4) 98.3(2)
TI(2) O(2) O(5) 93.9(2)
TI(2) O(4) O(5) 162.9(3)
_cod_database_code 2101260