The structure described by ZnTi2O4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), two equivalent O(2), 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 47-51°. In the second Ti site, Ti(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Zn(1) is bonded in a distorted pentagonal planar geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ti(2) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OTi3Zn2 trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(2), two equivalent Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded to three equivalent Ti(1) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OTi3Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.951
_cell_length_b   9.471
_cell_length_c   10.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.711
_cell_formula_units_Z   4
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  0.750  0.413  0.599  1.0
  Ti  Ti1  1  0.250  0.087  0.099  1.0
  Ti  Ti2  1  0.750  0.913  0.901  1.0
  Ti  Ti3  1  0.250  0.587  0.401  1.0
  Ti  Ti4  1  0.250  0.563  0.880  1.0
  Ti  Ti5  1  0.750  0.437  0.120  1.0
  Ti  Ti6  1  0.250  0.063  0.620  1.0
  Ti  Ti7  1  0.750  0.937  0.380  1.0
  Zn  Zn8  1  0.250  0.255  0.862  1.0
  Zn  Zn9  1  0.750  0.745  0.138  1.0
  Zn  Zn10  1  0.250  0.755  0.638  1.0
  Zn  Zn11  1  0.750  0.245  0.362  1.0
  O  O12  1  0.750  0.918  0.570  1.0
  O  O13  1  0.250  0.082  0.430  1.0
  O  O14  1  0.750  0.418  0.930  1.0
  O  O15  1  0.250  0.582  0.070  1.0
  O  O16  1  0.750  0.036  0.219  1.0
  O  O17  1  0.250  0.964  0.781  1.0
  O  O18  1  0.750  0.536  0.281  1.0
  O  O19  1  0.250  0.464  0.719  1.0
  O  O20  1  0.750  0.616  0.532  1.0
  O  O21  1  0.250  0.384  0.468  1.0
  O  O22  1  0.750  0.116  0.968  1.0
  O  O23  1  0.250  0.884  0.032  1.0
  O  O24  1  0.250  0.795  0.362  1.0
  O  O25  1  0.750  0.205  0.638  1.0
  O  O26  1  0.750  0.705  0.862  1.0
  O  O27  1  0.250  0.295  0.138  1.0
[/CIF]
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The structure described by ZnTi2O4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), two equivalent O(2), 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 47-51°. In the second Ti site, Ti(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Zn(1) is bonded in a distorted pentagonal planar geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ti(2) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OTi3Zn2 trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(2), two equivalent Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded to three equivalent Ti(1) and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OTi3Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(2) atoms. is represented by the CIF card [CIF]
data_Ti2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.951
_cell_length_b   9.471
_cell_length_c   10.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.711
_cell_formula_units_Z   4
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  0.750  0.413  0.599  1.0
  Ti  Ti1  1  0.250  0.087  0.099  1.0
  Ti  Ti2  1  0.750  0.913  0.901  1.0
  Ti  Ti3  1  0.250  0.587  0.401  1.0
  Ti  Ti4  1  0.250  0.563  0.880  1.0
  Ti  Ti5  1  0.750  0.437  0.120  1.0
  Ti  Ti6  1  0.250  0.063  0.620  1.0
  Ti  Ti7  1  0.750  0.937  0.380  1.0
  Zn  Zn8  1  0.250  0.255  0.862  1.0
  Zn  Zn9  1  0.750  0.745  0.138  1.0
  Zn  Zn10  1  0.250  0.755  0.638  1.0
  Zn  Zn11  1  0.750  0.245  0.362  1.0
  O  O12  1  0.750  0.918  0.570  1.0
  O  O13  1  0.250  0.082  0.430  1.0
  O  O14  1  0.750  0.418  0.930  1.0
  O  O15  1  0.250  0.582  0.070  1.0
  O  O16  1  0.750  0.036  0.219  1.0
  O  O17  1  0.250  0.964  0.781  1.0
  O  O18  1  0.750  0.536  0.281  1.0
  O  O19  1  0.250  0.464  0.719  1.0
  O  O20  1  0.750  0.616  0.532  1.0
  O  O21  1  0.250  0.384  0.468  1.0
  O  O22  1  0.750  0.116  0.968  1.0
  O  O23  1  0.250  0.884  0.032  1.0
  O  O24  1  0.250  0.795  0.362  1.0
  O  O25  1  0.750  0.205  0.638  1.0
  O  O26  1  0.750  0.705  0.862  1.0
  O  O27  1  0.250  0.295  0.138  1.0
[/CIF]
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