The crystal structure described by ZnTi2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(6)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(6), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. In the third Ti site, Ti(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(5)O4 tetrahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Ti(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, and edges with four equivalent Ti(4)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Ti(4)O6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(5) and three equivalent O(11) atoms to form TiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the third Zn site, Zn(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form ZnO6 octahedra that share corners with three equivalent Ti(6)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(4)O6 octahedra. In the fourth Zn site, Zn(4) is bonded to one O(6) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, and corners with six equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the fifth Zn site, Zn(5) is bonded to one O(9) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the sixth Zn site, Zn(6) is bonded to one O(12) and three equivalent O(7) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1), one Zn(1), and one Zn(3) atom to form distorted OTi2Zn2 trigonal pyramids that share corners with two equivalent O(1)Ti2Zn2 trigonal pyramids, corners with three equivalent O(11)Ti3Zn trigonal pyramids,  an edgeedge with one O(2)Ti3Zn trigonal pyramid, and edges with two equivalent O(1)Ti2Zn2 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Ti(1) and one Zn(2) atom to form distorted edge-sharing OTi3Zn trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(3), two equivalent Ti(1), and one Zn(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(3), two equivalent Ti(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(6) and three equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to three equivalent Ti(2) and one Zn(4) atom to form distorted corner-sharing OTi3Zn trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(5), two equivalent Ti(2), and one Zn(6) atom to form a mixture of distorted corner and edge-sharing OTi3Zn trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ti(5), two equivalent Ti(4), and one Zn(4) atom. In the ninth O site, O(9) is bonded to three equivalent Ti(2) and one Zn(5) atom to form a mixture of distorted corner and edge-sharing OTi3Zn trigonal pyramids. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(4) and one Zn(1) atom. In the eleventh O site, O(11) is bonded to one Ti(6), two equivalent Ti(4), and one Zn(3) atom to form distorted OTi3Zn trigonal pyramids that share corners with two equivalent O(11)Ti3Zn trigonal pyramids, corners with three equivalent O(1)Ti2Zn2 trigonal pyramids,  an edgeedge with one O(12)Ti3Zn tetrahedra, and edges with two equivalent O(11)Ti3Zn trigonal pyramids. In the twelfth O site, O(12) is bonded to three equivalent Ti(4) and one Zn(6) atom to form a mixture of corner and edge-sharing OTi3Zn tetrahedra. is represented by the CIF card [CIF]
data_Ti2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.017
_cell_length_b   6.017
_cell_length_c   14.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   467.949
_cell_formula_units_Z   6
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  0.987  0.493  0.167  1.0
  Ti  Ti1  1  0.507  0.013  0.167  1.0
  Ti  Ti2  1  0.335  0.167  0.500  1.0
  Ti  Ti3  1  0.507  0.493  0.167  1.0
  Ti  Ti4  1  0.667  0.333  0.340  1.0
  Ti  Ti5  1  0.833  0.665  0.500  1.0
  Ti  Ti6  1  0.695  0.848  0.829  1.0
  Ti  Ti7  1  0.833  0.167  0.500  1.0
  Ti  Ti8  1  0.152  0.848  0.829  1.0
  Ti  Ti9  1  0.000  0.000  0.671  1.0
  Ti  Ti10  1  0.152  0.305  0.829  1.0
  Ti  Ti11  1  0.667  0.333  0.950  1.0
  Zn  Zn12  1  0.000  0.000  0.049  1.0
  Zn  Zn13  1  0.333  0.667  0.370  1.0
  Zn  Zn14  1  0.333  0.667  0.002  1.0
  Zn  Zn15  1  0.667  0.333  0.701  1.0
  Zn  Zn16  1  0.000  0.000  0.293  1.0
  Zn  Zn17  1  0.333  0.667  0.631  1.0
  O  O18  1  0.178  0.356  0.094  1.0
  O  O19  1  0.333  0.667  0.239  1.0
  O  O20  1  0.178  0.822  0.094  1.0
  O  O21  1  0.644  0.822  0.094  1.0
  O  O22  1  0.361  0.180  0.251  1.0
  O  O23  1  0.509  0.019  0.420  1.0
  O  O24  1  0.820  0.180  0.251  1.0
  O  O25  1  0.667  0.333  0.078  1.0
  O  O26  1  0.509  0.491  0.420  1.0
  O  O27  1  0.667  0.333  0.572  1.0
  O  O28  1  0.820  0.639  0.251  1.0
  O  O29  1  0.981  0.491  0.420  1.0
  O  O30  1  0.693  0.846  0.580  1.0
  O  O31  1  0.839  0.679  0.748  1.0
  O  O32  1  0.154  0.846  0.580  1.0
  O  O33  1  0.000  0.000  0.427  1.0
  O  O34  1  0.000  0.000  0.916  1.0
  O  O35  1  0.839  0.161  0.748  1.0
  O  O36  1  0.154  0.307  0.580  1.0
  O  O37  1  0.321  0.161  0.748  1.0
  O  O38  1  0.011  0.505  0.911  1.0
  O  O39  1  0.333  0.667  0.763  1.0
  O  O40  1  0.495  0.505  0.911  1.0
  O  O41  1  0.495  0.989  0.911  1.0
[/CIF]
.
The crystal structure described by ZnTi2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(6)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(6), one O(9), two equivalent O(4), and two equivalent O(7) atoms to form TiO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. In the third Ti site, Ti(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form TiO6 octahedra that share corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(5)O4 tetrahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(12), two equivalent O(11), and two equivalent O(8) atoms to form TiO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Ti(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, and edges with four equivalent Ti(4)O6 octahedra. In the fifth Ti site, Ti(5) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, edges with three equivalent Ti(2)O6 octahedra, and edges with three equivalent Ti(4)O6 octahedra. In the sixth Ti site, Ti(6) is bonded to one O(5) and three equivalent O(11) atoms to form TiO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(4) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the third Zn site, Zn(3) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form ZnO6 octahedra that share corners with three equivalent Ti(6)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with three equivalent Ti(1)O6 octahedra, and edges with three equivalent Ti(4)O6 octahedra. In the fourth Zn site, Zn(4) is bonded to one O(6) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, and corners with six equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the fifth Zn site, Zn(5) is bonded to one O(9) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the sixth Zn site, Zn(6) is bonded to one O(12) and three equivalent O(7) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(5)O6 octahedra, and corners with six equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(1), one Zn(1), and one Zn(3) atom to form distorted OTi2Zn2 trigonal pyramids that share corners with two equivalent O(1)Ti2Zn2 trigonal pyramids, corners with three equivalent O(11)Ti3Zn trigonal pyramids,  an edgeedge with one O(2)Ti3Zn trigonal pyramid, and edges with two equivalent O(1)Ti2Zn2 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Ti(1) and one Zn(2) atom to form distorted edge-sharing OTi3Zn trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(3), two equivalent Ti(1), and one Zn(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(3), two equivalent Ti(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(6) and three equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded to three equivalent Ti(2) and one Zn(4) atom to form distorted corner-sharing OTi3Zn trigonal pyramids. In the seventh O site, O(7) is bonded to one Ti(5), two equivalent Ti(2), and one Zn(6) atom to form a mixture of distorted corner and edge-sharing OTi3Zn trigonal pyramids. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ti(5), two equivalent Ti(4), and one Zn(4) atom. In the ninth O site, O(9) is bonded to three equivalent Ti(2) and one Zn(5) atom to form a mixture of distorted corner and edge-sharing OTi3Zn trigonal pyramids. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(4) and one Zn(1) atom. In the eleventh O site, O(11) is bonded to one Ti(6), two equivalent Ti(4), and one Zn(3) atom to form distorted OTi3Zn trigonal pyramids that share corners with two equivalent O(11)Ti3Zn trigonal pyramids, corners with three equivalent O(1)Ti2Zn2 trigonal pyramids,  an edgeedge with one O(12)Ti3Zn tetrahedra, and edges with two equivalent O(11)Ti3Zn trigonal pyramids. In the twelfth O site, O(12) is bonded to three equivalent Ti(4) and one Zn(6) atom to form a mixture of corner and edge-sharing OTi3Zn tetrahedra. is represented by the CIF card [CIF]
data_Ti2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.017
_cell_length_b   6.017
_cell_length_c   14.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   467.949
_cell_formula_units_Z   6
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  0.987  0.493  0.167  1.0
  Ti  Ti1  1  0.507  0.013  0.167  1.0
  Ti  Ti2  1  0.335  0.167  0.500  1.0
  Ti  Ti3  1  0.507  0.493  0.167  1.0
  Ti  Ti4  1  0.667  0.333  0.340  1.0
  Ti  Ti5  1  0.833  0.665  0.500  1.0
  Ti  Ti6  1  0.695  0.848  0.829  1.0
  Ti  Ti7  1  0.833  0.167  0.500  1.0
  Ti  Ti8  1  0.152  0.848  0.829  1.0
  Ti  Ti9  1  0.000  0.000  0.671  1.0
  Ti  Ti10  1  0.152  0.305  0.829  1.0
  Ti  Ti11  1  0.667  0.333  0.950  1.0
  Zn  Zn12  1  0.000  0.000  0.049  1.0
  Zn  Zn13  1  0.333  0.667  0.370  1.0
  Zn  Zn14  1  0.333  0.667  0.002  1.0
  Zn  Zn15  1  0.667  0.333  0.701  1.0
  Zn  Zn16  1  0.000  0.000  0.293  1.0
  Zn  Zn17  1  0.333  0.667  0.631  1.0
  O  O18  1  0.178  0.356  0.094  1.0
  O  O19  1  0.333  0.667  0.239  1.0
  O  O20  1  0.178  0.822  0.094  1.0
  O  O21  1  0.644  0.822  0.094  1.0
  O  O22  1  0.361  0.180  0.251  1.0
  O  O23  1  0.509  0.019  0.420  1.0
  O  O24  1  0.820  0.180  0.251  1.0
  O  O25  1  0.667  0.333  0.078  1.0
  O  O26  1  0.509  0.491  0.420  1.0
  O  O27  1  0.667  0.333  0.572  1.0
  O  O28  1  0.820  0.639  0.251  1.0
  O  O29  1  0.981  0.491  0.420  1.0
  O  O30  1  0.693  0.846  0.580  1.0
  O  O31  1  0.839  0.679  0.748  1.0
  O  O32  1  0.154  0.846  0.580  1.0
  O  O33  1  0.000  0.000  0.427  1.0
  O  O34  1  0.000  0.000  0.916  1.0
  O  O35  1  0.839  0.161  0.748  1.0
  O  O36  1  0.154  0.307  0.580  1.0
  O  O37  1  0.321  0.161  0.748  1.0
  O  O38  1  0.011  0.505  0.911  1.0
  O  O39  1  0.333  0.667  0.763  1.0
  O  O40  1  0.495  0.505  0.911  1.0
  O  O41  1  0.495  0.989  0.911  1.0
[/CIF]
.