The material structure described by (TiO2)4Zn is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. The structure consists of two 7440-66-6 atoms inside a TiO2 framework. In the TiO2 framework, there are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Ti site, Ti(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the third Ti site, Ti(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth Ti site, Ti(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(4) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3) and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Ti(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(3) atoms. is represented by the CIF card [CIF]
data_Ti4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.389
_cell_length_b   7.389
_cell_length_c   10.004
_cell_angle_alpha   48.660
_cell_angle_beta   48.660
_cell_angle_gamma   23.074
_symmetry_Int_Tables_number   1
_cell_volume   158.125
_cell_formula_units_Z   1
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  0.369  0.369  0.439  1.0
  Ti  Ti1  1  0.853  0.853  0.786  1.0
  Ti  Ti2  1  0.176  0.176  0.150  1.0
  Ti  Ti3  1  0.658  0.658  0.496  1.0
  Zn  Zn4  1  0.553  0.553  0.931  1.0
  O  O5  1  0.159  0.159  0.363  1.0
  O  O6  1  0.551  0.551  0.247  1.0
  O  O7  1  0.475  0.475  0.694  1.0
  O  O8  1  0.864  0.864  0.579  1.0
  O  O9  1  0.849  0.849  0.334  1.0
  O  O10  1  0.229  0.229  0.903  1.0
  O  O11  1  0.177  0.177  0.607  1.0
  O  O12  1  0.794  0.794  0.039  1.0
[/CIF]
.
The material structure described by (TiO2)4Zn is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. The structure consists of two 7440-66-6 atoms inside a TiO2 framework. In the TiO2 framework, there are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Ti site, Ti(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. In the third Ti site, Ti(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth Ti site, Ti(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(3) and two equivalent Ti(4) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Ti(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(4) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ti(4) and two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3) and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Ti(4) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(3) atoms. is represented by the CIF card [CIF]
data_Ti4ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.389
_cell_length_b   7.389
_cell_length_c   10.004
_cell_angle_alpha   48.660
_cell_angle_beta   48.660
_cell_angle_gamma   23.074
_symmetry_Int_Tables_number   1
_cell_volume   158.125
_cell_formula_units_Z   1
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  0.369  0.369  0.439  1.0
  Ti  Ti1  1  0.853  0.853  0.786  1.0
  Ti  Ti2  1  0.176  0.176  0.150  1.0
  Ti  Ti3  1  0.658  0.658  0.496  1.0
  Zn  Zn4  1  0.553  0.553  0.931  1.0
  O  O5  1  0.159  0.159  0.363  1.0
  O  O6  1  0.551  0.551  0.247  1.0
  O  O7  1  0.475  0.475  0.694  1.0
  O  O8  1  0.864  0.864  0.579  1.0
  O  O9  1  0.849  0.849  0.334  1.0
  O  O10  1  0.229  0.229  0.903  1.0
  O  O11  1  0.177  0.177  0.607  1.0
  O  O12  1  0.794  0.794  0.039  1.0
[/CIF]
.