The material structure described by Ti9O10 crystallizes in the monoclinic C2/m space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(2)O5 square pyramid,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-8°. In the third Ti site, Ti(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O5 square pyramids, edges with three equivalent Ti(3)O6 octahedra, edges with three equivalent Ti(4)O6 octahedra, and edges with four equivalent Ti(2)O5 square pyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O5 square pyramids, edges with six equivalent Ti(3)O6 octahedra, and edges with four equivalent Ti(2)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to one Ti(4), two equivalent Ti(2), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the third O site, O(3) is bonded to one Ti(4), two equivalent Ti(2), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. is represented by the CIF card [CIF]
data_Ti9O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.129
_cell_length_b   5.129
_cell_length_c   9.922
_cell_angle_alpha   84.220
_cell_angle_beta   84.220
_cell_angle_gamma   121.095
_symmetry_Int_Tables_number   1
_cell_volume   218.799
_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  0.837  0.163  0.500  1.0
  Ti  Ti1  1  0.559  0.897  0.257  1.0
  Ti  Ti2  1  0.352  0.648  0.000  1.0
  Ti  Ti3  1  0.103  0.441  0.743  1.0
  Ti  Ti4  1  0.441  0.103  0.743  1.0
  Ti  Ti5  1  0.163  0.837  0.500  1.0
  Ti  Ti6  1  0.897  0.559  0.257  1.0
  Ti  Ti7  1  0.648  0.352  0.000  1.0
  Ti  Ti8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.461  0.803  0.623  1.0
  O  O10  1  0.197  0.539  0.377  1.0
  O  O11  1  0.943  0.287  0.120  1.0
  O  O12  1  0.713  0.057  0.880  1.0
  O  O13  1  0.803  0.461  0.623  1.0
  O  O14  1  0.539  0.197  0.377  1.0
  O  O15  1  0.287  0.943  0.120  1.0
  O  O16  1  0.057  0.713  0.880  1.0
  O  O17  1  0.392  0.392  0.862  1.0
  O  O18  1  0.608  0.608  0.138  1.0
[/CIF]
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The material structure described by Ti9O10 crystallizes in the monoclinic C2/m space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form TiO5 square pyramids that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Ti(2)O5 square pyramid,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Ti(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 6-8°. In the third Ti site, Ti(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O5 square pyramids, edges with three equivalent Ti(3)O6 octahedra, edges with three equivalent Ti(4)O6 octahedra, and edges with four equivalent Ti(2)O5 square pyramids. In the fourth Ti site, Ti(4) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O5 square pyramids, edges with six equivalent Ti(3)O6 octahedra, and edges with four equivalent Ti(2)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1) and two equivalent Ti(2) atoms. In the second O site, O(2) is bonded to one Ti(4), two equivalent Ti(2), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the third O site, O(3) is bonded to one Ti(4), two equivalent Ti(2), and two equivalent Ti(3) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. is represented by the CIF card [CIF]
data_Ti9O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.129
_cell_length_b   5.129
_cell_length_c   9.922
_cell_angle_alpha   84.220
_cell_angle_beta   84.220
_cell_angle_gamma   121.095
_symmetry_Int_Tables_number   1
_cell_volume   218.799
_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  0.837  0.163  0.500  1.0
  Ti  Ti1  1  0.559  0.897  0.257  1.0
  Ti  Ti2  1  0.352  0.648  0.000  1.0
  Ti  Ti3  1  0.103  0.441  0.743  1.0
  Ti  Ti4  1  0.441  0.103  0.743  1.0
  Ti  Ti5  1  0.163  0.837  0.500  1.0
  Ti  Ti6  1  0.897  0.559  0.257  1.0
  Ti  Ti7  1  0.648  0.352  0.000  1.0
  Ti  Ti8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.461  0.803  0.623  1.0
  O  O10  1  0.197  0.539  0.377  1.0
  O  O11  1  0.943  0.287  0.120  1.0
  O  O12  1  0.713  0.057  0.880  1.0
  O  O13  1  0.803  0.461  0.623  1.0
  O  O14  1  0.539  0.197  0.377  1.0
  O  O15  1  0.287  0.943  0.120  1.0
  O  O16  1  0.057  0.713  0.880  1.0
  O  O17  1  0.392  0.392  0.862  1.0
  O  O18  1  0.608  0.608  0.138  1.0
[/CIF]
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