The compound described by Bi2Ti4O11 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Bi(1)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Bi(1)O5 square pyramids, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Bi(1) is bonded to two equivalent O(3) and three equivalent O(1) atoms to form distorted BiO5 square pyramids that share corners with three equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Bi(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 53-74°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2) and three equivalent Bi(1) atoms to form OTiBi3 tetrahedra that share corners with two equivalent O(1)TiBi3 tetrahedra, corners with four equivalent O(3)Ti2Bi2 tetrahedra,  an edgeedge with one O(3)Ti2Bi2 tetrahedra, and edges with two equivalent O(1)TiBi3 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the third O site, O(3) is bonded to two equivalent Ti(1) and two equivalent Bi(1) atoms to form distorted OTi2Bi2 tetrahedra that share corners with two equivalent O(3)Ti2Bi2 tetrahedra, corners with four equivalent O(1)TiBi3 tetrahedra,  an edgeedge with one O(3)Ti2Bi2 tetrahedra, and  an edgeedge with one O(1)TiBi3 tetrahedra. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(2) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti4Bi2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.601
_cell_length_b   7.601
_cell_length_c   10.159
_cell_angle_alpha   48.863
_cell_angle_beta   48.863
_cell_angle_gamma   28.811
_symmetry_Int_Tables_number   1
_cell_volume   207.604
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.619  0.619  0.468  1.0
  Ti  Ti1  1  0.381  0.381  0.532  1.0
  Ti  Ti2  1  0.663  0.663  0.782  1.0
  Ti  Ti3  1  0.337  0.337  0.218  1.0
  Bi  Bi4  1  0.110  0.110  0.141  1.0
  Bi  Bi5  1  0.890  0.890  0.859  1.0
  O  O6  1  0.709  0.709  0.950  1.0
  O  O7  1  0.291  0.291  0.050  1.0
  O  O8  1  0.626  0.626  0.645  1.0
  O  O9  1  0.374  0.374  0.355  1.0
  O  O10  1  0.436  0.436  0.669  1.0
  O  O11  1  0.564  0.564  0.331  1.0
  O  O12  1  0.799  0.799  0.240  1.0
  O  O13  1  0.201  0.201  0.760  1.0
  O  O14  1  0.145  0.145  0.430  1.0
  O  O15  1  0.855  0.855  0.570  1.0
  O  O16  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Bi2Ti4O11 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Bi(1)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Bi(1)O5 square pyramids, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. Bi(1) is bonded to two equivalent O(3) and three equivalent O(1) atoms to form distorted BiO5 square pyramids that share corners with three equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with four equivalent Bi(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 53-74°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2) and three equivalent Bi(1) atoms to form OTiBi3 tetrahedra that share corners with two equivalent O(1)TiBi3 tetrahedra, corners with four equivalent O(3)Ti2Bi2 tetrahedra,  an edgeedge with one O(3)Ti2Bi2 tetrahedra, and edges with two equivalent O(1)TiBi3 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. In the third O site, O(3) is bonded to two equivalent Ti(1) and two equivalent Bi(1) atoms to form distorted OTi2Bi2 tetrahedra that share corners with two equivalent O(3)Ti2Bi2 tetrahedra, corners with four equivalent O(1)TiBi3 tetrahedra,  an edgeedge with one O(3)Ti2Bi2 tetrahedra, and  an edgeedge with one O(1)TiBi3 tetrahedra. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(2) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti4Bi2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.601
_cell_length_b   7.601
_cell_length_c   10.159
_cell_angle_alpha   48.863
_cell_angle_beta   48.863
_cell_angle_gamma   28.811
_symmetry_Int_Tables_number   1
_cell_volume   207.604
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.619  0.619  0.468  1.0
  Ti  Ti1  1  0.381  0.381  0.532  1.0
  Ti  Ti2  1  0.663  0.663  0.782  1.0
  Ti  Ti3  1  0.337  0.337  0.218  1.0
  Bi  Bi4  1  0.110  0.110  0.141  1.0
  Bi  Bi5  1  0.890  0.890  0.859  1.0
  O  O6  1  0.709  0.709  0.950  1.0
  O  O7  1  0.291  0.291  0.050  1.0
  O  O8  1  0.626  0.626  0.645  1.0
  O  O9  1  0.374  0.374  0.355  1.0
  O  O10  1  0.436  0.436  0.669  1.0
  O  O11  1  0.564  0.564  0.331  1.0
  O  O12  1  0.799  0.799  0.240  1.0
  O  O13  1  0.201  0.201  0.760  1.0
  O  O14  1  0.145  0.145  0.430  1.0
  O  O15  1  0.855  0.855  0.570  1.0
  O  O16  1  0.500  0.500  0.000  1.0
[/CIF]
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