The compound described by Ti(Zn)O2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2), two equivalent Ti(1), and one Zn(1) atom to form OTi3Zn tetrahedra that share corners with two equivalent O(1)Ti3Zn tetrahedra, corners with four equivalent O(3)Ti2Zn3 trigonal bipyramids, and  an edgeedge with one O(3)Ti2Zn3 trigonal bipyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Zn(2) atom. In the third O site, O(3) is bonded to two equivalent Ti(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OTi2Zn3 trigonal bipyramids that share corners with four equivalent O(1)Ti3Zn tetrahedra,  an edgeedge with one O(1)Ti3Zn tetrahedra, and edges with two equivalent O(3)Ti2Zn3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(2), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.909
_cell_length_b   7.622
_cell_length_c   8.538
_cell_angle_alpha   82.227
_cell_angle_beta   81.450
_cell_angle_gamma   84.398
_symmetry_Int_Tables_number   1
_cell_volume   184.901
_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  0.029  0.803  0.574  1.0
  Ti  Ti1  1  0.605  0.941  0.244  1.0
  Ti  Ti2  1  0.395  0.059  0.756  1.0
  Ti  Ti3  1  0.971  0.197  0.426  1.0
  Zn  Zn4  1  0.968  0.570  0.277  1.0
  Zn  Zn5  1  0.032  0.430  0.723  1.0
  Zn  Zn6  1  0.792  0.351  0.053  1.0
  Zn  Zn7  1  0.208  0.649  0.947  1.0
  O  O8  1  0.393  0.253  0.579  1.0
  O  O9  1  0.925  0.876  0.799  1.0
  O  O10  1  0.075  0.124  0.201  1.0
  O  O11  1  0.607  0.747  0.421  1.0
  O  O12  1  0.502  0.615  0.703  1.0
  O  O13  1  0.187  0.795  0.143  1.0
  O  O14  1  0.498  0.385  0.297  1.0
  O  O15  1  0.813  0.205  0.857  1.0
[/CIF]
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The compound described by Ti(Zn)O2 crystallizes in the triclinic P-1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted edge-sharing TiO5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a distorted T-shaped geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(2), two equivalent Ti(1), and one Zn(1) atom to form OTi3Zn tetrahedra that share corners with two equivalent O(1)Ti3Zn tetrahedra, corners with four equivalent O(3)Ti2Zn3 trigonal bipyramids, and  an edgeedge with one O(3)Ti2Zn3 trigonal bipyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Zn(2) atom. In the third O site, O(3) is bonded to two equivalent Ti(1), one Zn(2), and two equivalent Zn(1) atoms to form distorted OTi2Zn3 trigonal bipyramids that share corners with four equivalent O(1)Ti3Zn tetrahedra,  an edgeedge with one O(1)Ti3Zn tetrahedra, and edges with two equivalent O(3)Ti2Zn3 trigonal bipyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(2), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.909
_cell_length_b   7.622
_cell_length_c   8.538
_cell_angle_alpha   82.227
_cell_angle_beta   81.450
_cell_angle_gamma   84.398
_symmetry_Int_Tables_number   1
_cell_volume   184.901
_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  0.029  0.803  0.574  1.0
  Ti  Ti1  1  0.605  0.941  0.244  1.0
  Ti  Ti2  1  0.395  0.059  0.756  1.0
  Ti  Ti3  1  0.971  0.197  0.426  1.0
  Zn  Zn4  1  0.968  0.570  0.277  1.0
  Zn  Zn5  1  0.032  0.430  0.723  1.0
  Zn  Zn6  1  0.792  0.351  0.053  1.0
  Zn  Zn7  1  0.208  0.649  0.947  1.0
  O  O8  1  0.393  0.253  0.579  1.0
  O  O9  1  0.925  0.876  0.799  1.0
  O  O10  1  0.075  0.124  0.201  1.0
  O  O11  1  0.607  0.747  0.421  1.0
  O  O12  1  0.502  0.615  0.703  1.0
  O  O13  1  0.187  0.795  0.143  1.0
  O  O14  1  0.498  0.385  0.297  1.0
  O  O15  1  0.813  0.205  0.857  1.0
[/CIF]
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