The structure described by ZnTiNb2O8 crystallizes in the monoclinic P2 space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Nb(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Nb(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_TiNb2ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.802
_cell_length_b   4.741
_cell_length_c   5.033
_cell_angle_alpha   88.517
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.404
_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  0.168  0.500  0.500  1.0
  Nb  Nb1  1  0.812  0.500  0.000  1.0
  Nb  Nb2  1  0.317  0.000  0.000  1.0
  Zn  Zn3  1  0.691  0.000  0.500  1.0
  O  O4  1  0.900  0.291  0.683  1.0
  O  O5  1  0.612  0.226  0.157  1.0
  O  O6  1  0.612  0.774  0.843  1.0
  O  O7  1  0.900  0.709  0.317  1.0
  O  O8  1  0.122  0.735  0.821  1.0
  O  O9  1  0.372  0.759  0.323  1.0
  O  O10  1  0.372  0.241  0.677  1.0
  O  O11  1  0.122  0.265  0.179  1.0
[/CIF]
.
The structure described by ZnTiNb2O8 crystallizes in the monoclinic P2 space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with four equivalent Nb(2)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Nb(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_TiNb2ZnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.802
_cell_length_b   4.741
_cell_length_c   5.033
_cell_angle_alpha   88.517
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.404
_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  0.168  0.500  0.500  1.0
  Nb  Nb1  1  0.812  0.500  0.000  1.0
  Nb  Nb2  1  0.317  0.000  0.000  1.0
  Zn  Zn3  1  0.691  0.000  0.500  1.0
  O  O4  1  0.900  0.291  0.683  1.0
  O  O5  1  0.612  0.226  0.157  1.0
  O  O6  1  0.612  0.774  0.843  1.0
  O  O7  1  0.900  0.709  0.317  1.0
  O  O8  1  0.122  0.735  0.821  1.0
  O  O9  1  0.372  0.759  0.323  1.0
  O  O10  1  0.372  0.241  0.677  1.0
  O  O11  1  0.122  0.265  0.179  1.0
[/CIF]
.