The crystal structure described by Zn2TiO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) 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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Zn(1), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_TiZn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.090
_cell_length_b   6.090
_cell_length_c   6.090
_cell_angle_alpha   121.279
_cell_angle_beta   120.718
_cell_angle_gamma   88.279
_symmetry_Int_Tables_number   1
_cell_volume   157.219
_cell_formula_units_Z   2
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  0.000  1.0
  Ti  Ti1  1  0.000  0.500  0.500  1.0
  Zn  Zn2  1  0.889  0.139  0.750  1.0
  Zn  Zn3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.500  0.000  0.000  1.0
  Zn  Zn5  1  0.111  0.861  0.250  1.0
  O  O6  1  0.289  0.275  0.014  1.0
  O  O7  1  0.762  0.275  0.486  1.0
  O  O8  1  0.754  0.281  0.027  1.0
  O  O9  1  0.754  0.727  0.473  1.0
  O  O10  1  0.246  0.273  0.527  1.0
  O  O11  1  0.246  0.719  0.973  1.0
  O  O12  1  0.238  0.725  0.514  1.0
  O  O13  1  0.711  0.725  0.986  1.0
[/CIF]
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The crystal structure described by Zn2TiO4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) 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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the second Zn site, Zn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Zn(1), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_TiZn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.090
_cell_length_b   6.090
_cell_length_c   6.090
_cell_angle_alpha   121.279
_cell_angle_beta   120.718
_cell_angle_gamma   88.279
_symmetry_Int_Tables_number   1
_cell_volume   157.219
_cell_formula_units_Z   2
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  0.000  1.0
  Ti  Ti1  1  0.000  0.500  0.500  1.0
  Zn  Zn2  1  0.889  0.139  0.750  1.0
  Zn  Zn3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.500  0.000  0.000  1.0
  Zn  Zn5  1  0.111  0.861  0.250  1.0
  O  O6  1  0.289  0.275  0.014  1.0
  O  O7  1  0.762  0.275  0.486  1.0
  O  O8  1  0.754  0.281  0.027  1.0
  O  O9  1  0.754  0.727  0.473  1.0
  O  O10  1  0.246  0.273  0.527  1.0
  O  O11  1  0.246  0.719  0.973  1.0
  O  O12  1  0.238  0.725  0.514  1.0
  O  O13  1  0.711  0.725  0.986  1.0
[/CIF]
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