The crystal structure described by ZnTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Zn(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. Zn(1) is bonded to six equivalent O(1) atoms to form distorted ZnO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. O(1) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OTi2Zn2 trigonal pyramids. is represented by the CIF card [CIF]
data_TiZnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.551
_cell_length_c   5.551
_cell_angle_alpha   55.038
_cell_angle_beta   55.038
_cell_angle_gamma   55.038
_symmetry_Int_Tables_number   1
_cell_volume   106.962
_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  0.854  0.854  0.854  1.0
  Ti  Ti1  1  0.146  0.146  0.146  1.0
  Zn  Zn2  1  0.639  0.639  0.639  1.0
  Zn  Zn3  1  0.361  0.361  0.361  1.0
  O  O4  1  0.950  0.224  0.563  1.0
  O  O5  1  0.224  0.563  0.950  1.0
  O  O6  1  0.563  0.950  0.224  1.0
  O  O7  1  0.051  0.776  0.437  1.0
  O  O8  1  0.437  0.051  0.776  1.0
  O  O9  1  0.776  0.437  0.051  1.0
[/CIF]
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The crystal structure described by ZnTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ti(1) is bonded to six equivalent O(1) atoms to form distorted TiO6 octahedra that share corners with nine equivalent Zn(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. Zn(1) is bonded to six equivalent O(1) atoms to form distorted ZnO6 octahedra that share corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. O(1) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OTi2Zn2 trigonal pyramids. is represented by the CIF card [CIF]
data_TiZnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.551
_cell_length_b   5.551
_cell_length_c   5.551
_cell_angle_alpha   55.038
_cell_angle_beta   55.038
_cell_angle_gamma   55.038
_symmetry_Int_Tables_number   1
_cell_volume   106.962
_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  0.854  0.854  0.854  1.0
  Ti  Ti1  1  0.146  0.146  0.146  1.0
  Zn  Zn2  1  0.639  0.639  0.639  1.0
  Zn  Zn3  1  0.361  0.361  0.361  1.0
  O  O4  1  0.950  0.224  0.563  1.0
  O  O5  1  0.224  0.563  0.950  1.0
  O  O6  1  0.563  0.950  0.224  1.0
  O  O7  1  0.051  0.776  0.437  1.0
  O  O8  1  0.437  0.051  0.776  1.0
  O  O9  1  0.776  0.437  0.051  1.0
[/CIF]
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