The material structure described by BaTi2Fe4O11 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with three equivalent Fe(1)O5 trigonal bipyramids, and faces with six equivalent Fe(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form FeO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with six equivalent Fe(2)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O5 trigonal bipyramids, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are six inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Fe(1), and two equivalent Fe(2) atoms. In the second O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(2), one Fe(2), and one Fe(3) atom. In the fourth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(1), one Ti(2), and one Fe(2) atom. In the sixth O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(3) atom. is represented by the CIF file [CIF]
data_BaTi2Fe4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.932
_cell_length_b   5.932
_cell_length_c   13.612
_cell_angle_alpha   89.903
_cell_angle_beta   89.903
_cell_angle_gamma   119.918
_symmetry_Int_Tables_number   1
_cell_volume   415.096
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.667  0.333  0.750  1.0
  Ba  Ba1  1  0.333  0.667  0.250  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.666  0.334  0.250  1.0
  Fe  Fe7  1  0.334  0.666  0.750  1.0
  Fe  Fe8  1  0.002  0.003  0.854  1.0
  Fe  Fe9  1  0.998  0.997  0.146  1.0
  Fe  Fe10  1  0.003  0.002  0.354  1.0
  Fe  Fe11  1  0.997  0.998  0.646  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
  Fe  Fe13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.656  0.328  0.419  1.0
  O  O15  1  0.344  0.672  0.581  1.0
  O  O16  1  0.328  0.656  0.919  1.0
  O  O17  1  0.672  0.344  0.081  1.0
  O  O18  1  0.150  0.850  0.750  1.0
  O  O19  1  0.700  0.850  0.751  1.0
  O  O20  1  0.150  0.300  0.749  1.0
  O  O21  1  0.850  0.150  0.250  1.0
  O  O22  1  0.300  0.150  0.249  1.0
  O  O23  1  0.850  0.700  0.251  1.0
  O  O24  1  0.833  0.183  0.922  1.0
  O  O25  1  0.349  0.182  0.922  1.0
  O  O26  1  0.825  0.651  0.922  1.0
  O  O27  1  0.167  0.817  0.078  1.0
  O  O28  1  0.651  0.818  0.078  1.0
  O  O29  1  0.175  0.349  0.078  1.0
  O  O30  1  0.183  0.833  0.422  1.0
  O  O31  1  0.651  0.825  0.422  1.0
  O  O32  1  0.182  0.349  0.422  1.0
  O  O33  1  0.817  0.167  0.578  1.0
  O  O34  1  0.349  0.175  0.578  1.0
  O  O35  1  0.818  0.651  0.578  1.0
[/CIF]
.
The material structure described by BaTi2Fe4O11 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to two equivalent O(2), two equivalent O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with three equivalent Fe(1)O5 trigonal bipyramids, and faces with six equivalent Fe(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form FeO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with six equivalent Fe(2)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(1)O5 trigonal bipyramids, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are six inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Fe(1), and two equivalent Fe(2) atoms. In the second O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Fe(1), and two equivalent Fe(2) atoms. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(2), one Fe(2), and one Fe(3) atom. In the fourth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(1), one Fe(2), and one Fe(3) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(1), one Ti(2), and one Fe(2) atom. In the sixth O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(2), one Fe(1), and one Fe(3) atom. is represented by the CIF file [CIF]
data_BaTi2Fe4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.932
_cell_length_b   5.932
_cell_length_c   13.612
_cell_angle_alpha   89.903
_cell_angle_beta   89.903
_cell_angle_gamma   119.918
_symmetry_Int_Tables_number   1
_cell_volume   415.096
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.667  0.333  0.750  1.0
  Ba  Ba1  1  0.333  0.667  0.250  1.0
  Ti  Ti2  1  0.500  0.500  0.000  1.0
  Ti  Ti3  1  0.000  0.500  0.000  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.500  0.000  0.500  1.0
  Fe  Fe6  1  0.666  0.334  0.250  1.0
  Fe  Fe7  1  0.334  0.666  0.750  1.0
  Fe  Fe8  1  0.002  0.003  0.854  1.0
  Fe  Fe9  1  0.998  0.997  0.146  1.0
  Fe  Fe10  1  0.003  0.002  0.354  1.0
  Fe  Fe11  1  0.997  0.998  0.646  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
  Fe  Fe13  1  0.000  0.500  0.500  1.0
  O  O14  1  0.656  0.328  0.419  1.0
  O  O15  1  0.344  0.672  0.581  1.0
  O  O16  1  0.328  0.656  0.919  1.0
  O  O17  1  0.672  0.344  0.081  1.0
  O  O18  1  0.150  0.850  0.750  1.0
  O  O19  1  0.700  0.850  0.751  1.0
  O  O20  1  0.150  0.300  0.749  1.0
  O  O21  1  0.850  0.150  0.250  1.0
  O  O22  1  0.300  0.150  0.249  1.0
  O  O23  1  0.850  0.700  0.251  1.0
  O  O24  1  0.833  0.183  0.922  1.0
  O  O25  1  0.349  0.182  0.922  1.0
  O  O26  1  0.825  0.651  0.922  1.0
  O  O27  1  0.167  0.817  0.078  1.0
  O  O28  1  0.651  0.818  0.078  1.0
  O  O29  1  0.175  0.349  0.078  1.0
  O  O30  1  0.183  0.833  0.422  1.0
  O  O31  1  0.651  0.825  0.422  1.0
  O  O32  1  0.182  0.349  0.422  1.0
  O  O33  1  0.817  0.167  0.578  1.0
  O  O34  1  0.349  0.175  0.578  1.0
  O  O35  1  0.818  0.651  0.578  1.0
[/CIF]
.