The material described by Ti9Zn2O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Ti site, Ti(2) is bonded to one O(4), 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 0-10°. In the third Ti site, Ti(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(2), two equivalent O(3), 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 0-54°. In the fifth Ti site, Ti(5) is bonded to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-54°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded to one Ti(5), two equivalent Ti(1), and three equivalent Ti(3) atoms to form OTi6 octahedra that share corners with two equivalent O(7)Ti6 octahedra, corners with two equivalent O(6)Ti5 square pyramids,  a cornercorner with one O(2)Ti2Zn2 tetrahedra,  a cornercorner with one O(5)Ti3Zn2 trigonal bipyramid, edges with five equivalent O(7)Ti6 octahedra, edges with five equivalent O(6)Ti5 square pyramids, and edges with two equivalent O(5)Ti3Zn2 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to two equivalent Ti(4) and four equivalent Ti(2) atoms to form OTi6 octahedra that share corners with four equivalent O(3)Ti5 square pyramids, corners with two equivalent O(2)Ti2Zn2 tetrahedra, edges with two equivalent O(1)Ti6 octahedra, edges with six equivalent O(3)Ti5 square pyramids, and edges with four equivalent O(4)Ti3Zn2 trigonal bipyramids. In the third O site, O(2) is bonded to one Ti(4), one Ti(5), and two equivalent Zn(1) atoms to form OTi2Zn2 tetrahedra that share  a cornercorner with one O(1)Ti6 octahedra,  a cornercorner with one O(7)Ti6 octahedra, corners with two equivalent O(3)Ti5 square pyramids, corners with two equivalent O(6)Ti5 square pyramids, corners with two equivalent O(2)Ti2Zn2 tetrahedra, corners with four equivalent O(4)Ti3Zn2 trigonal bipyramids, corners with four equivalent O(5)Ti3Zn2 trigonal bipyramids,  an edgeedge with one O(4)Ti3Zn2 trigonal bipyramid, and  an edgeedge with one O(5)Ti3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(3) is bonded to two equivalent Ti(4) and three equivalent Ti(2) atoms to form distorted OTi5 square pyramids that share corners with two equivalent O(1)Ti6 octahedra, corners with two equivalent O(2)Ti2Zn2 tetrahedra, corners with five equivalent O(4)Ti3Zn2 trigonal bipyramids, edges with three equivalent O(1)Ti6 octahedra, edges with four equivalent O(3)Ti5 square pyramids, and  an edgeedge with one O(4)Ti3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the fifth O site, O(4) is bonded to one Ti(2), two equivalent Ti(4), and two equivalent Zn(1) atoms to form distorted OTi3Zn2 trigonal bipyramids that share corners with five equivalent O(3)Ti5 square pyramids, corners with four equivalent O(2)Ti2Zn2 tetrahedra, corners with two equivalent O(5)Ti3Zn2 trigonal bipyramids, edges with two equivalent O(1)Ti6 octahedra,  an edgeedge with one O(3)Ti5 square pyramid,  an edgeedge with one O(2)Ti2Zn2 tetrahedra,  an edgeedge with one O(5)Ti3Zn2 trigonal bipyramid, and edges with two equivalent O(4)Ti3Zn2 trigonal bipyramids. In the sixth O site, O(5) is bonded to one Ti(3), two equivalent Ti(5), and two equivalent Zn(1) atoms to form distorted OTi3Zn2 trigonal bipyramids that share  a cornercorner with one O(7)Ti6 octahedra, corners with four equivalent O(6)Ti5 square pyramids, corners with four equivalent O(2)Ti2Zn2 tetrahedra, corners with two equivalent O(4)Ti3Zn2 trigonal bipyramids, edges with two equivalent O(7)Ti6 octahedra,  an edgeedge with one O(6)Ti5 square pyramid,  an edgeedge with one O(2)Ti2Zn2 tetrahedra,  an edgeedge with one O(4)Ti3Zn2 trigonal bipyramid, and edges with two equivalent O(5)Ti3Zn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 9°. In the seventh O site, O(6) is bonded to one Ti(1), two equivalent Ti(3), and two equivalent Ti(5) atoms to form OTi5 square pyramids that share corners with two equivalent O(7)Ti6 octahedra,  a cornercorner with one O(6)Ti5 square pyramid, corners with two equivalent O(2)Ti2Zn2 tetrahedra, corners with four equivalent O(5)Ti3Zn2 trigonal bipyramids, edges with five equivalent O(7)Ti6 octahedra, edges with two equivalent O(6)Ti5 square pyramids, and  an edgeedge with one O(5)Ti3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti9Zn2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.152
_cell_length_b   5.152
_cell_length_c   16.710
_cell_angle_alpha   81.033
_cell_angle_beta   81.033
_cell_angle_gamma   33.382
_symmetry_Int_Tables_number   1
_cell_volume   240.803
_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  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.346  0.346  0.036  1.0
  Ti  Ti2  1  0.654  0.654  0.964  1.0
  Ti  Ti3  1  0.236  0.236  0.425  1.0
  Ti  Ti4  1  0.764  0.764  0.575  1.0
  Ti  Ti5  1  0.069  0.069  0.117  1.0
  Ti  Ti6  1  0.931  0.931  0.883  1.0
  Ti  Ti7  1  0.010  0.010  0.337  1.0
  Ti  Ti8  1  0.990  0.990  0.663  1.0
  Zn  Zn9  1  0.786  0.786  0.229  1.0
  Zn  Zn10  1  0.214  0.214  0.771  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.131  0.131  0.229  1.0
  O  O13  1  0.869  0.869  0.771  1.0
  O  O14  1  0.714  0.714  0.086  1.0
  O  O15  1  0.286  0.286  0.914  1.0
  O  O16  1  0.420  0.420  0.147  1.0
  O  O17  1  0.580  0.580  0.853  1.0
  O  O18  1  0.373  0.373  0.314  1.0
  O  O19  1  0.627  0.627  0.686  1.0
  O  O20  1  0.627  0.627  0.378  1.0
  O  O21  1  0.373  0.373  0.622  1.0
  O  O22  1  0.877  0.877  0.451  1.0
  O  O23  1  0.123  0.123  0.549  1.0
[/CIF]
.
The material described by Ti9Zn2O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. In the second Ti site, Ti(2) is bonded to one O(4), 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 0-10°. In the third Ti site, Ti(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(2), two equivalent O(3), 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 0-54°. In the fifth Ti site, Ti(5) is bonded to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 3-54°. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded to one Ti(5), two equivalent Ti(1), and three equivalent Ti(3) atoms to form OTi6 octahedra that share corners with two equivalent O(7)Ti6 octahedra, corners with two equivalent O(6)Ti5 square pyramids,  a cornercorner with one O(2)Ti2Zn2 tetrahedra,  a cornercorner with one O(5)Ti3Zn2 trigonal bipyramid, edges with five equivalent O(7)Ti6 octahedra, edges with five equivalent O(6)Ti5 square pyramids, and edges with two equivalent O(5)Ti3Zn2 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to two equivalent Ti(4) and four equivalent Ti(2) atoms to form OTi6 octahedra that share corners with four equivalent O(3)Ti5 square pyramids, corners with two equivalent O(2)Ti2Zn2 tetrahedra, edges with two equivalent O(1)Ti6 octahedra, edges with six equivalent O(3)Ti5 square pyramids, and edges with four equivalent O(4)Ti3Zn2 trigonal bipyramids. In the third O site, O(2) is bonded to one Ti(4), one Ti(5), and two equivalent Zn(1) atoms to form OTi2Zn2 tetrahedra that share  a cornercorner with one O(1)Ti6 octahedra,  a cornercorner with one O(7)Ti6 octahedra, corners with two equivalent O(3)Ti5 square pyramids, corners with two equivalent O(6)Ti5 square pyramids, corners with two equivalent O(2)Ti2Zn2 tetrahedra, corners with four equivalent O(4)Ti3Zn2 trigonal bipyramids, corners with four equivalent O(5)Ti3Zn2 trigonal bipyramids,  an edgeedge with one O(4)Ti3Zn2 trigonal bipyramid, and  an edgeedge with one O(5)Ti3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(3) is bonded to two equivalent Ti(4) and three equivalent Ti(2) atoms to form distorted OTi5 square pyramids that share corners with two equivalent O(1)Ti6 octahedra, corners with two equivalent O(2)Ti2Zn2 tetrahedra, corners with five equivalent O(4)Ti3Zn2 trigonal bipyramids, edges with three equivalent O(1)Ti6 octahedra, edges with four equivalent O(3)Ti5 square pyramids, and  an edgeedge with one O(4)Ti3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the fifth O site, O(4) is bonded to one Ti(2), two equivalent Ti(4), and two equivalent Zn(1) atoms to form distorted OTi3Zn2 trigonal bipyramids that share corners with five equivalent O(3)Ti5 square pyramids, corners with four equivalent O(2)Ti2Zn2 tetrahedra, corners with two equivalent O(5)Ti3Zn2 trigonal bipyramids, edges with two equivalent O(1)Ti6 octahedra,  an edgeedge with one O(3)Ti5 square pyramid,  an edgeedge with one O(2)Ti2Zn2 tetrahedra,  an edgeedge with one O(5)Ti3Zn2 trigonal bipyramid, and edges with two equivalent O(4)Ti3Zn2 trigonal bipyramids. In the sixth O site, O(5) is bonded to one Ti(3), two equivalent Ti(5), and two equivalent Zn(1) atoms to form distorted OTi3Zn2 trigonal bipyramids that share  a cornercorner with one O(7)Ti6 octahedra, corners with four equivalent O(6)Ti5 square pyramids, corners with four equivalent O(2)Ti2Zn2 tetrahedra, corners with two equivalent O(4)Ti3Zn2 trigonal bipyramids, edges with two equivalent O(7)Ti6 octahedra,  an edgeedge with one O(6)Ti5 square pyramid,  an edgeedge with one O(2)Ti2Zn2 tetrahedra,  an edgeedge with one O(4)Ti3Zn2 trigonal bipyramid, and edges with two equivalent O(5)Ti3Zn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 9°. In the seventh O site, O(6) is bonded to one Ti(1), two equivalent Ti(3), and two equivalent Ti(5) atoms to form OTi5 square pyramids that share corners with two equivalent O(7)Ti6 octahedra,  a cornercorner with one O(6)Ti5 square pyramid, corners with two equivalent O(2)Ti2Zn2 tetrahedra, corners with four equivalent O(5)Ti3Zn2 trigonal bipyramids, edges with five equivalent O(7)Ti6 octahedra, edges with two equivalent O(6)Ti5 square pyramids, and  an edgeedge with one O(5)Ti3Zn2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti9Zn2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.152
_cell_length_b   5.152
_cell_length_c   16.710
_cell_angle_alpha   81.033
_cell_angle_beta   81.033
_cell_angle_gamma   33.382
_symmetry_Int_Tables_number   1
_cell_volume   240.803
_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  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.346  0.346  0.036  1.0
  Ti  Ti2  1  0.654  0.654  0.964  1.0
  Ti  Ti3  1  0.236  0.236  0.425  1.0
  Ti  Ti4  1  0.764  0.764  0.575  1.0
  Ti  Ti5  1  0.069  0.069  0.117  1.0
  Ti  Ti6  1  0.931  0.931  0.883  1.0
  Ti  Ti7  1  0.010  0.010  0.337  1.0
  Ti  Ti8  1  0.990  0.990  0.663  1.0
  Zn  Zn9  1  0.786  0.786  0.229  1.0
  Zn  Zn10  1  0.214  0.214  0.771  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.131  0.131  0.229  1.0
  O  O13  1  0.869  0.869  0.771  1.0
  O  O14  1  0.714  0.714  0.086  1.0
  O  O15  1  0.286  0.286  0.914  1.0
  O  O16  1  0.420  0.420  0.147  1.0
  O  O17  1  0.580  0.580  0.853  1.0
  O  O18  1  0.373  0.373  0.314  1.0
  O  O19  1  0.627  0.627  0.686  1.0
  O  O20  1  0.627  0.627  0.378  1.0
  O  O21  1  0.373  0.373  0.622  1.0
  O  O22  1  0.877  0.877  0.451  1.0
  O  O23  1  0.123  0.123  0.549  1.0
[/CIF]
.