data_9009776
_chemical_name 'BaFe11Ti3O23'
loop_
_publ_author_name
'Vanderah T A'
'Wong-Ng W'
'Toby B H'
'Browning V M'
'Shull R D'
'Geyer R G'
'Roth R S'
_journal_name_full "Journal of Solid State Chemistry"
_journal_volume 143
_journal_year 1999
_journal_page_first 182
_journal_page_last 197
_publ_section_title
;
 Characterization of ternary compounds in the BaO:Fe2O3:TiO2
 system: Ba6Fe45Ti17O106 and BaFe11Ti3O23
 Note: data from single-crystal X-ray diffraction
;
_chemical_formula_sum 'Ba Fe11.04 Ti2.96 O23'
_cell_length_a 19.561
_cell_length_b 8.6614
_cell_length_c 10.120
_cell_angle_alpha 90
_cell_angle_beta 105.62
_cell_angle_gamma 90
_cell_volume 1651.265
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ba   0.00000   0.32589   0.25000   1.00000   0.00930
FeM1   0.06483   0.00640   0.44697   0.65000   0.00620
TiM1   0.06483   0.00640   0.44697   0.35000   0.00620
FeM2  -0.06677   0.63680   0.03491   0.72000   0.00560
TiM2  -0.06677   0.63680   0.03491   0.28000   0.00560
FeM3  -0.06724   0.81820   0.30542   0.63000   0.00630
TiM3  -0.06724   0.81820   0.30542   0.37000   0.00630
FeM4   0.31749   0.00090   0.22908   0.91000   0.00510
TiM4   0.31749   0.00090   0.22908   0.09000   0.00510
FeM5   0.17535   0.15330   0.24214   0.77000   0.00490
TiM5   0.17535   0.15330   0.24214   0.23000   0.00490
FeM6   0.18065   0.31230   0.51944   0.84000   0.00510
TiM6   0.18065   0.31230   0.51944   0.16000   0.00510
Fe7   0.28509   0.34930   0.07460   1.00000   0.01240
O1   0.23700   0.32340   0.37680   1.00000   0.00510
O2   0.12540   0.15860   0.39440   1.00000   0.00670
O3   0.24530   0.15530   0.12420   1.00000   0.00590
O4  -0.13070   0.67050   0.34240   1.00000   0.00620
O5  -0.12570   0.49020   0.09610   1.00000   0.00580
O6  -0.11600   0.82340   0.10430   1.00000   0.00460
O7   0.25400   0.02040   0.35880   1.00000   0.00620
O8   0.12420   0.33490   0.15160   1.00000   0.00530
O9   0.00100   0.16660   0.50990   1.00000   0.00730
O10   0.00000   0.66930   0.25000   1.00000   0.00800
O11   0.00000  -0.01760   0.25000   1.00000   0.00700
O12   0.00000   0.50000   0.50000   1.00000   0.00800
O13   0.11910   0.00710   0.64900   1.00000   0.00680