data_TiZnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   55.37
_cell_angle_beta   55.37
_cell_angle_gamma   55.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnO3
_chemical_formula_sum   'Ti2 Zn2 O6'
_cell_volume   103.74
_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  Ti6  1  0.0  0.0  0.83  1.0
  Ti  Ti7  1  0.0  0.0  0.03  1.0
  Zn  Zn8  1  0.0  0.0  0.87  1.0
  Zn  Zn9  1  0.0  0.0  1.0  1.0
  O  O0  1  0.85  0.37  0.04  1.0
  O  O1  1  0.01  0.44  0.83  1.0
  O  O2  1  0.16  0.08  0.04  1.0
  O  O3  1  0.84  0.92  0.83  1.0
  O  O4  1  0.99  0.56  0.04  1.0
  O  O5  1  0.15  0.63  0.83  1.0

data_TiZnO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.48
_cell_angle_alpha   62.31
_cell_angle_beta   62.31
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiZnO3
_chemical_formula_sum   'Ti2 Zn2 O6'
_cell_volume   103.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.1  0.4  1.0
  Zn  Zn1  2  0.0  0.06  0.44  1.0
  O  O2  2  0.08  0.1  0.16  1.0
  O  O3  2  0.37  0.1  0.18  1.0
  O  O4  2  0.44  0.9  0.15  1.0

Ti Ti Zn Zn O O O O O O
ZnTiO3 is Copper structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ZnTiO3 cluster. Ti(1) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one O(1), and one O(3) atom. The Ti(1)-Zn(1) bond length is 0.21 Å. The Ti(1)-O(1) bond length is 1.69 Å. The Ti(1)-O(3) bond length is 1.18 Å. Zn(1) is bonded in a distorted linear geometry to one Ti(1) and one Zn(1) atom. The Zn(1)-Zn(1) bond length is 0.68 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ti(1) and one O(2) atom. The O(1)-O(2) bond length is 0.99 Å. In the second O site, O(2) is bonded in a 1-coordinate geometry to one O(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ti(1) atom.