The material structure described by Ti10O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the second Ti site, Ti(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Ti site, Ti(3) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth Ti site, Ti(5) is bonded to one O(4), one O(5), one O(7), and three equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ti(4), two equivalent Ti(1), and two equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Ti(1), one Ti(2), one Ti(3), and one Ti(4) atom. In the third O site, O(3) is bonded to two equivalent Ti(2) and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the fourth O site, O(4) is bonded in a square co-planar geometry to one Ti(4), one Ti(5), and two equivalent Ti(3) atoms. In the fifth O site, O(5) is bonded to one Ti(2), one Ti(3), one Ti(5), and two equivalent Ti(4) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the sixth O site, O(6) is bonded to one Ti(3), one Ti(4), and three equivalent Ti(5) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the seventh O site, O(7) is bonded in a square co-planar geometry to two equivalent Ti(3) and two equivalent Ti(5) atoms. is represented by the CIF card [CIF]
data_Ti10O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.073
_cell_length_b   4.130
_cell_length_c   5.077
_cell_angle_alpha   114.017
_cell_angle_beta   86.068
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   230.578
_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  0.152  0.400  0.800  1.0
  Ti  Ti1  1  0.066  0.680  0.360  1.0
  Ti  Ti2  1  0.318  0.781  0.563  1.0
  Ti  Ti3  1  0.232  0.061  0.123  1.0
  Ti  Ti4  1  0.536  0.847  0.695  1.0
  Ti  Ti5  1  0.461  0.167  0.335  1.0
  Ti  Ti6  1  0.763  0.924  0.847  1.0
  Ti  Ti7  1  0.621  0.538  0.076  1.0
  Ti  Ti8  1  0.924  0.294  0.588  1.0
  Ti  Ti9  1  0.848  0.614  0.228  1.0
  O  O10  1  0.082  0.193  0.386  1.0
  O  O11  1  0.996  0.491  0.983  1.0
  O  O12  1  0.152  0.872  0.745  1.0
  O  O13  1  0.303  0.268  0.537  1.0
  O  O14  1  0.233  0.589  0.178  1.0
  O  O15  1  0.389  0.970  0.940  1.0
  O  O16  1  0.541  0.351  0.703  1.0
  O  O17  1  0.466  0.650  0.300  1.0
  O  O18  1  0.772  0.417  0.833  1.0
  O  O19  1  0.692  0.731  0.462  1.0
  O  O20  1  0.612  0.045  0.090  1.0
  O  O21  1  0.919  0.812  0.623  1.0
  O  O22  1  0.844  0.110  0.220  1.0
[/CIF]
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The material structure described by Ti10O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 1-14°. In the second Ti site, Ti(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Ti site, Ti(3) is bonded to one O(2), one O(5), one O(6), one O(7), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth Ti site, Ti(5) is bonded to one O(4), one O(5), one O(7), and three equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ti(4), two equivalent Ti(1), and two equivalent Ti(2) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the second O site, O(2) is bonded in a square co-planar geometry to one Ti(1), one Ti(2), one Ti(3), and one Ti(4) atom. In the third O site, O(3) is bonded to two equivalent Ti(2) and three equivalent Ti(1) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the fourth O site, O(4) is bonded in a square co-planar geometry to one Ti(4), one Ti(5), and two equivalent Ti(3) atoms. In the fifth O site, O(5) is bonded to one Ti(2), one Ti(3), one Ti(5), and two equivalent Ti(4) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the sixth O site, O(6) is bonded to one Ti(3), one Ti(4), and three equivalent Ti(5) atoms to form a mixture of corner and edge-sharing OTi5 square pyramids. In the seventh O site, O(7) is bonded in a square co-planar geometry to two equivalent Ti(3) and two equivalent Ti(5) atoms. is represented by the CIF card [CIF]
data_Ti10O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.073
_cell_length_b   4.130
_cell_length_c   5.077
_cell_angle_alpha   114.017
_cell_angle_beta   86.068
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   230.578
_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  0.152  0.400  0.800  1.0
  Ti  Ti1  1  0.066  0.680  0.360  1.0
  Ti  Ti2  1  0.318  0.781  0.563  1.0
  Ti  Ti3  1  0.232  0.061  0.123  1.0
  Ti  Ti4  1  0.536  0.847  0.695  1.0
  Ti  Ti5  1  0.461  0.167  0.335  1.0
  Ti  Ti6  1  0.763  0.924  0.847  1.0
  Ti  Ti7  1  0.621  0.538  0.076  1.0
  Ti  Ti8  1  0.924  0.294  0.588  1.0
  Ti  Ti9  1  0.848  0.614  0.228  1.0
  O  O10  1  0.082  0.193  0.386  1.0
  O  O11  1  0.996  0.491  0.983  1.0
  O  O12  1  0.152  0.872  0.745  1.0
  O  O13  1  0.303  0.268  0.537  1.0
  O  O14  1  0.233  0.589  0.178  1.0
  O  O15  1  0.389  0.970  0.940  1.0
  O  O16  1  0.541  0.351  0.703  1.0
  O  O17  1  0.466  0.650  0.300  1.0
  O  O18  1  0.772  0.417  0.833  1.0
  O  O19  1  0.692  0.731  0.462  1.0
  O  O20  1  0.612  0.045  0.090  1.0
  O  O21  1  0.919  0.812  0.623  1.0
  O  O22  1  0.844  0.110  0.220  1.0
[/CIF]
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