The material described by Ti9O8 crystallizes in the triclinic P-1 space group. There are nine inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(9)O6 octahedra,  a cornercorner with one Ti(3)O5 square pyramid,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(9)O6 octahedra,  an edgeedge with one Ti(5)O5 square pyramid,  an edgeedge with one Ti(6)O5 square pyramid,  an edgeedge with one Ti(8)O5 square pyramid, edges with two equivalent Ti(2)O5 square pyramids, edges with two equivalent Ti(3)O5 square pyramids, and edges with three equivalent Ti(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(6), and two equivalent O(3) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(2)O5 square pyramid,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(7)O5 square pyramids, corners with three equivalent Ti(6)O5 square pyramids, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(2)O5 square pyramid,  an edgeedge with one Ti(7)O5 square pyramid, and edges with two equivalent Ti(3)O5 square pyramids. In the third Ti site, Ti(3) is bonded to one O(3), one O(4), one O(6), and two equivalent O(1) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a cornercorner with one Ti(2)O5 square pyramid,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(6)O5 square pyramid,  a cornercorner with one Ti(7)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O5 square pyramid,  an edgeedge with one Ti(6)O5 square pyramid,  an edgeedge with one Ti(7)O5 square pyramid, and edges with two equivalent Ti(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 9-10°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(3)O5 square pyramids, corners with two equivalent Ti(5)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O5 square pyramid,  an edgeedge with one Ti(5)O5 square pyramid,  an edgeedge with one Ti(7)O5 square pyramid, edges with two equivalent Ti(2)O5 square pyramids, edges with two equivalent Ti(6)O5 square pyramids, and edges with two equivalent Ti(8)O5 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the fifth Ti site, Ti(5) is bonded to one O(6), one O(8), one O(9), and two equivalent O(7) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(9)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a cornercorner with one Ti(2)O5 square pyramid,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(7)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(6)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(5)O5 square pyramid,  an edgeedge with one Ti(6)O5 square pyramid, and edges with two equivalent Ti(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-10°. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(3), one O(7), one O(8), and one O(9) atom to form TiO5 square pyramids that share  a cornercorner with one Ti(3)O5 square pyramid, corners with two equivalent Ti(5)O5 square pyramids, corners with three equivalent Ti(2)O5 square pyramids, corners with three equivalent Ti(8)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O5 square pyramid,  an edgeedge with one Ti(5)O5 square pyramid, and  an edgeedge with one Ti(7)O5 square pyramid. In the seventh Ti site, Ti(7) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form TiO5 square pyramids that share corners with two equivalent Ti(9)O6 octahedra,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(2)O5 square pyramids, corners with two equivalent Ti(7)O5 square pyramids,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(9)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O5 square pyramid,  an edgeedge with one Ti(3)O5 square pyramid, and  an edgeedge with one Ti(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 7-14°. In the eighth Ti site, Ti(8) is bonded to one O(5), one O(6), one O(7), and two equivalent O(9) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  a cornercorner with one Ti(2)O5 square pyramid,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(7)O5 square pyramid, corners with three equivalent Ti(6)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(8)O5 square pyramid, and edges with two equivalent Ti(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 17-18°. In the ninth Ti site, Ti(9) is bonded to one O(7), one O(9), two equivalent O(5), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(7)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(7)O5 square pyramid, edges with two equivalent Ti(5)O5 square pyramids, edges with two equivalent Ti(6)O5 square pyramids, and edges with two equivalent Ti(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-16°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), one Ti(4), one Ti(6), and two equivalent Ti(3) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second O site, O(2) is bonded to two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(7) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the third O site, O(3) is bonded to one Ti(3), one Ti(4), one Ti(6), one Ti(7), and two equivalent Ti(2) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth O site, O(4) is bonded to two equivalent Ti(1), two equivalent Ti(3), and two equivalent Ti(7) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(4), one Ti(7), one Ti(8), and two equivalent Ti(9) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. In the sixth O site, O(6) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), one Ti(5), and one Ti(8) atom to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the seventh O site, O(7) is bonded to one Ti(4), one Ti(6), one Ti(8), one Ti(9), and two equivalent Ti(5) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(5), one Ti(6), one Ti(7), and two equivalent Ti(9) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the ninth O site, O(9) is bonded to one Ti(4), one Ti(5), one Ti(6), one Ti(9), and two equivalent Ti(8) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. is represented by the CIF card [CIF]
data_Ti9O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.060
_cell_length_b   6.696
_cell_length_c   9.062
_cell_angle_alpha   102.869
_cell_angle_beta   89.105
_cell_angle_gamma   102.936
_symmetry_Int_Tables_number   1
_cell_volume   349.139
_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
  Ti  Ti0  1  0.241  0.512  0.163  1.0
  Ti  Ti1  1  0.603  0.837  0.071  1.0
  Ti  Ti2  1  0.946  0.167  0.929  1.0
  Ti  Ti3  1  0.054  0.833  0.071  1.0
  Ti  Ti4  1  0.397  0.163  0.929  1.0
  Ti  Ti5  1  0.549  0.825  0.717  1.0
  Ti  Ti6  1  0.759  0.488  0.837  1.0
  Ti  Ti7  1  0.940  0.171  0.624  1.0
  Ti  Ti8  1  0.096  0.854  0.726  1.0
  Ti  Ti9  1  0.248  0.489  0.825  1.0
  Ti  Ti10  1  0.397  0.166  0.624  1.0
  Ti  Ti11  1  0.738  0.494  0.476  1.0
  Ti  Ti12  1  0.904  0.146  0.274  1.0
  Ti  Ti13  1  0.060  0.829  0.376  1.0
  Ti  Ti14  1  0.262  0.506  0.524  1.0
  Ti  Ti15  1  0.451  0.175  0.283  1.0
  Ti  Ti16  1  0.603  0.834  0.376  1.0
  Ti  Ti17  1  0.752  0.511  0.175  1.0
  O  O18  1  0.177  0.171  0.118  1.0
  O  O19  1  0.500  0.500  0.000  1.0
  O  O20  1  0.668  0.168  0.097  1.0
  O  O21  1  0.823  0.829  0.882  1.0
  O  O22  1  0.000  0.500  0.000  1.0
  O  O23  1  0.332  0.832  0.903  1.0
  O  O24  1  0.530  0.500  0.670  1.0
  O  O25  1  0.668  0.156  0.777  1.0
  O  O26  1  0.829  0.830  0.560  1.0
  O  O27  1  0.982  0.507  0.659  1.0
  O  O28  1  0.171  0.170  0.440  1.0
  O  O29  1  0.327  0.834  0.539  1.0
  O  O30  1  0.470  0.500  0.330  1.0
  O  O31  1  0.673  0.166  0.461  1.0
  O  O32  1  0.018  0.493  0.341  1.0
  O  O33  1  0.332  0.844  0.223  1.0
[/CIF]
.
The material described by Ti9O8 crystallizes in the triclinic P-1 space group. There are nine inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(9)O6 octahedra,  a cornercorner with one Ti(3)O5 square pyramid,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(9)O6 octahedra,  an edgeedge with one Ti(5)O5 square pyramid,  an edgeedge with one Ti(6)O5 square pyramid,  an edgeedge with one Ti(8)O5 square pyramid, edges with two equivalent Ti(2)O5 square pyramids, edges with two equivalent Ti(3)O5 square pyramids, and edges with three equivalent Ti(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 0-16°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(6), and two equivalent O(3) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(2)O5 square pyramid,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(7)O5 square pyramids, corners with three equivalent Ti(6)O5 square pyramids, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(2)O5 square pyramid,  an edgeedge with one Ti(7)O5 square pyramid, and edges with two equivalent Ti(3)O5 square pyramids. In the third Ti site, Ti(3) is bonded to one O(3), one O(4), one O(6), and two equivalent O(1) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a cornercorner with one Ti(2)O5 square pyramid,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(6)O5 square pyramid,  a cornercorner with one Ti(7)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O5 square pyramid,  an edgeedge with one Ti(6)O5 square pyramid,  an edgeedge with one Ti(7)O5 square pyramid, and edges with two equivalent Ti(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 9-10°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(3)O5 square pyramids, corners with two equivalent Ti(5)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O5 square pyramid,  an edgeedge with one Ti(5)O5 square pyramid,  an edgeedge with one Ti(7)O5 square pyramid, edges with two equivalent Ti(2)O5 square pyramids, edges with two equivalent Ti(6)O5 square pyramids, and edges with two equivalent Ti(8)O5 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the fifth Ti site, Ti(5) is bonded to one O(6), one O(8), one O(9), and two equivalent O(7) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(9)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  a cornercorner with one Ti(2)O5 square pyramid,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(7)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(6)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(5)O5 square pyramid,  an edgeedge with one Ti(6)O5 square pyramid, and edges with two equivalent Ti(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-10°. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(3), one O(7), one O(8), and one O(9) atom to form TiO5 square pyramids that share  a cornercorner with one Ti(3)O5 square pyramid, corners with two equivalent Ti(5)O5 square pyramids, corners with three equivalent Ti(2)O5 square pyramids, corners with three equivalent Ti(8)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O5 square pyramid,  an edgeedge with one Ti(5)O5 square pyramid, and  an edgeedge with one Ti(7)O5 square pyramid. In the seventh Ti site, Ti(7) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form TiO5 square pyramids that share corners with two equivalent Ti(9)O6 octahedra,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(2)O5 square pyramids, corners with two equivalent Ti(7)O5 square pyramids,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(9)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O5 square pyramid,  an edgeedge with one Ti(3)O5 square pyramid, and  an edgeedge with one Ti(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 7-14°. In the eighth Ti site, Ti(8) is bonded to one O(5), one O(6), one O(7), and two equivalent O(9) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  a cornercorner with one Ti(2)O5 square pyramid,  a cornercorner with one Ti(3)O5 square pyramid,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(7)O5 square pyramid, corners with three equivalent Ti(6)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(8)O5 square pyramid, and edges with two equivalent Ti(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 17-18°. In the ninth Ti site, Ti(9) is bonded to one O(7), one O(9), two equivalent O(5), and two equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Ti(5)O5 square pyramid,  a cornercorner with one Ti(8)O5 square pyramid, corners with two equivalent Ti(7)O5 square pyramids,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, edges with two equivalent Ti(9)O6 octahedra,  an edgeedge with one Ti(7)O5 square pyramid, edges with two equivalent Ti(5)O5 square pyramids, edges with two equivalent Ti(6)O5 square pyramids, and edges with two equivalent Ti(8)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-16°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(2), one Ti(4), one Ti(6), and two equivalent Ti(3) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the second O site, O(2) is bonded to two equivalent Ti(1), two equivalent Ti(2), and two equivalent Ti(7) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the third O site, O(3) is bonded to one Ti(3), one Ti(4), one Ti(6), one Ti(7), and two equivalent Ti(2) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 9-12°. In the fourth O site, O(4) is bonded to two equivalent Ti(1), two equivalent Ti(3), and two equivalent Ti(7) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the fifth O site, O(5) is bonded to one Ti(1), one Ti(4), one Ti(7), one Ti(8), and two equivalent Ti(9) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. In the sixth O site, O(6) is bonded to one Ti(1), one Ti(2), one Ti(3), one Ti(4), one Ti(5), and one Ti(8) atom to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 6-16°. In the seventh O site, O(7) is bonded to one Ti(4), one Ti(6), one Ti(8), one Ti(9), and two equivalent Ti(5) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 9-17°. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(5), one Ti(6), one Ti(7), and two equivalent Ti(9) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the ninth O site, O(9) is bonded to one Ti(4), one Ti(5), one Ti(6), one Ti(9), and two equivalent Ti(8) atoms to form a mixture of edge and corner-sharing OTi6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. is represented by the CIF card [CIF]
data_Ti9O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.060
_cell_length_b   6.696
_cell_length_c   9.062
_cell_angle_alpha   102.869
_cell_angle_beta   89.105
_cell_angle_gamma   102.936
_symmetry_Int_Tables_number   1
_cell_volume   349.139
_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
  Ti  Ti0  1  0.241  0.512  0.163  1.0
  Ti  Ti1  1  0.603  0.837  0.071  1.0
  Ti  Ti2  1  0.946  0.167  0.929  1.0
  Ti  Ti3  1  0.054  0.833  0.071  1.0
  Ti  Ti4  1  0.397  0.163  0.929  1.0
  Ti  Ti5  1  0.549  0.825  0.717  1.0
  Ti  Ti6  1  0.759  0.488  0.837  1.0
  Ti  Ti7  1  0.940  0.171  0.624  1.0
  Ti  Ti8  1  0.096  0.854  0.726  1.0
  Ti  Ti9  1  0.248  0.489  0.825  1.0
  Ti  Ti10  1  0.397  0.166  0.624  1.0
  Ti  Ti11  1  0.738  0.494  0.476  1.0
  Ti  Ti12  1  0.904  0.146  0.274  1.0
  Ti  Ti13  1  0.060  0.829  0.376  1.0
  Ti  Ti14  1  0.262  0.506  0.524  1.0
  Ti  Ti15  1  0.451  0.175  0.283  1.0
  Ti  Ti16  1  0.603  0.834  0.376  1.0
  Ti  Ti17  1  0.752  0.511  0.175  1.0
  O  O18  1  0.177  0.171  0.118  1.0
  O  O19  1  0.500  0.500  0.000  1.0
  O  O20  1  0.668  0.168  0.097  1.0
  O  O21  1  0.823  0.829  0.882  1.0
  O  O22  1  0.000  0.500  0.000  1.0
  O  O23  1  0.332  0.832  0.903  1.0
  O  O24  1  0.530  0.500  0.670  1.0
  O  O25  1  0.668  0.156  0.777  1.0
  O  O26  1  0.829  0.830  0.560  1.0
  O  O27  1  0.982  0.507  0.659  1.0
  O  O28  1  0.171  0.170  0.440  1.0
  O  O29  1  0.327  0.834  0.539  1.0
  O  O30  1  0.470  0.500  0.330  1.0
  O  O31  1  0.673  0.166  0.461  1.0
  O  O32  1  0.018  0.493  0.341  1.0
  O  O33  1  0.332  0.844  0.223  1.0
[/CIF]
.