The material described by ZnTiO3 crystallizes in the triclinic P-1 space group. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO5 trigonal bipyramids that share corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   5.675
_cell_length_c   5.917
_cell_angle_alpha   65.490
_cell_angle_beta   63.996
_cell_angle_gamma   68.242
_symmetry_Int_Tables_number   1
_cell_volume   148.206
_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  0.252  0.088  0.916  1.0
  Ti  Ti1  1  0.748  0.912  0.084  1.0
  Zn  Zn2  1  0.571  0.422  0.257  1.0
  Zn  Zn3  1  0.429  0.578  0.743  1.0
  O  O4  1  0.302  0.346  0.608  1.0
  O  O5  1  0.106  0.856  0.849  1.0
  O  O6  1  0.550  0.774  0.966  1.0
  O  O7  1  0.698  0.654  0.392  1.0
  O  O8  1  0.894  0.144  0.151  1.0
  O  O9  1  0.450  0.226  0.034  1.0
[/CIF]
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The material described by ZnTiO3 crystallizes in the triclinic P-1 space group. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO5 trigonal bipyramids that share corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. Zn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti(1) and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to two equivalent Ti(1) and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   5.675
_cell_length_c   5.917
_cell_angle_alpha   65.490
_cell_angle_beta   63.996
_cell_angle_gamma   68.242
_symmetry_Int_Tables_number   1
_cell_volume   148.206
_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  0.252  0.088  0.916  1.0
  Ti  Ti1  1  0.748  0.912  0.084  1.0
  Zn  Zn2  1  0.571  0.422  0.257  1.0
  Zn  Zn3  1  0.429  0.578  0.743  1.0
  O  O4  1  0.302  0.346  0.608  1.0
  O  O5  1  0.106  0.856  0.849  1.0
  O  O6  1  0.550  0.774  0.966  1.0
  O  O7  1  0.698  0.654  0.392  1.0
  O  O8  1  0.894  0.144  0.151  1.0
  O  O9  1  0.450  0.226  0.034  1.0
[/CIF]
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