The structure described by Zn2TiO4 is Spinel-like structured and crystallizes in the tetragonal P4_322 space group. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Zn(2)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Zn(2)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Zn(2), and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_TiZn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   6.085
_cell_length_c   8.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.627
_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  0.239  0.500  0.250  1.0
  Ti  Ti1  1  0.500  0.761  0.500  1.0
  Ti  Ti2  1  0.500  0.239  0.000  1.0
  Ti  Ti3  1  0.761  0.500  0.750  1.0
  Zn  Zn4  1  0.000  0.243  0.000  1.0
  Zn  Zn5  1  0.000  0.757  0.500  1.0
  Zn  Zn6  1  0.254  0.254  0.625  1.0
  Zn  Zn7  1  0.254  0.746  0.875  1.0
  Zn  Zn8  1  0.243  0.000  0.250  1.0
  Zn  Zn9  1  0.757  0.000  0.750  1.0
  Zn  Zn10  1  0.746  0.254  0.375  1.0
  Zn  Zn11  1  0.746  0.746  0.125  1.0
  O  O12  1  0.516  0.734  0.733  1.0
  O  O13  1  0.516  0.266  0.767  1.0
  O  O14  1  0.734  0.974  0.499  1.0
  O  O15  1  0.734  0.026  0.001  1.0
  O  O16  1  0.734  0.516  0.517  1.0
  O  O17  1  0.734  0.484  0.983  1.0
  O  O18  1  0.974  0.734  0.751  1.0
  O  O19  1  0.974  0.266  0.749  1.0
  O  O20  1  0.026  0.734  0.249  1.0
  O  O21  1  0.026  0.266  0.251  1.0
  O  O22  1  0.266  0.516  0.483  1.0
  O  O23  1  0.266  0.484  0.017  1.0
  O  O24  1  0.266  0.974  0.501  1.0
  O  O25  1  0.266  0.026  0.999  1.0
  O  O26  1  0.484  0.734  0.267  1.0
  O  O27  1  0.484  0.266  0.233  1.0
[/CIF]
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The structure described by Zn2TiO4 is Spinel-like structured and crystallizes in the tetragonal P4_322 space group. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Zn(2)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with six equivalent Zn(2)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Ti(1)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Zn(2), and two equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_TiZn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   6.085
_cell_length_c   8.470
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.627
_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  0.239  0.500  0.250  1.0
  Ti  Ti1  1  0.500  0.761  0.500  1.0
  Ti  Ti2  1  0.500  0.239  0.000  1.0
  Ti  Ti3  1  0.761  0.500  0.750  1.0
  Zn  Zn4  1  0.000  0.243  0.000  1.0
  Zn  Zn5  1  0.000  0.757  0.500  1.0
  Zn  Zn6  1  0.254  0.254  0.625  1.0
  Zn  Zn7  1  0.254  0.746  0.875  1.0
  Zn  Zn8  1  0.243  0.000  0.250  1.0
  Zn  Zn9  1  0.757  0.000  0.750  1.0
  Zn  Zn10  1  0.746  0.254  0.375  1.0
  Zn  Zn11  1  0.746  0.746  0.125  1.0
  O  O12  1  0.516  0.734  0.733  1.0
  O  O13  1  0.516  0.266  0.767  1.0
  O  O14  1  0.734  0.974  0.499  1.0
  O  O15  1  0.734  0.026  0.001  1.0
  O  O16  1  0.734  0.516  0.517  1.0
  O  O17  1  0.734  0.484  0.983  1.0
  O  O18  1  0.974  0.734  0.751  1.0
  O  O19  1  0.974  0.266  0.749  1.0
  O  O20  1  0.026  0.734  0.249  1.0
  O  O21  1  0.026  0.266  0.251  1.0
  O  O22  1  0.266  0.516  0.483  1.0
  O  O23  1  0.266  0.484  0.017  1.0
  O  O24  1  0.266  0.974  0.501  1.0
  O  O25  1  0.266  0.026  0.999  1.0
  O  O26  1  0.484  0.734  0.267  1.0
  O  O27  1  0.484  0.266  0.233  1.0
[/CIF]
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