The structure described by TiNbBiO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-53°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(12), one O(4), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-58°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-71°. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(5), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-67°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-71°. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nb(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 non-coplanar geometry to one Ti(1), one Ti(2), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nb(2), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Bi(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), one Nb(2), and one Bi(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Nb(1), and one Nb(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(2), one Nb(2), and one Bi(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(2), one Nb(2), and one Bi(2) atom. is represented by the CIF card [CIF]
data_TiNbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.373
_cell_length_b   6.996
_cell_length_c   7.659
_cell_angle_alpha   67.808
_cell_angle_beta   69.695
_cell_angle_gamma   81.722
_symmetry_Int_Tables_number   1
_cell_volume   250.007
_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  0.287  0.875  0.480  1.0
  Ti  Ti1  1  0.801  0.885  0.963  1.0
  Nb  Nb2  1  0.710  0.122  0.524  1.0
  Nb  Nb3  1  0.206  0.110  0.039  1.0
  Bi  Bi4  1  0.740  0.508  0.748  1.0
  Bi  Bi5  1  0.276  0.524  0.243  1.0
  O  O6  1  0.156  0.617  0.557  1.0
  O  O7  1  0.845  0.388  0.433  1.0
  O  O8  1  0.015  0.039  0.326  1.0
  O  O9  1  0.986  0.946  0.682  1.0
  O  O10  1  0.294  0.372  0.019  1.0
  O  O11  1  0.695  0.631  0.985  1.0
  O  O12  1  0.558  0.814  0.592  1.0
  O  O13  1  0.436  0.184  0.407  1.0
  O  O14  1  0.473  0.895  0.190  1.0
  O  O15  1  0.525  0.100  0.809  1.0
  O  O16  1  0.925  0.183  0.931  1.0
  O  O17  1  0.070  0.808  0.072  1.0
[/CIF]
.
The structure described by TiNbBiO6 crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-53°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(12), one O(4), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-58°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-71°. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(12), one O(3), one O(5), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-67°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(7) atom to form distorted BiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-71°. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nb(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar 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 non-coplanar geometry to one Ti(1), one Ti(2), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nb(2), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Bi(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1), one Nb(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), one Nb(2), and one Bi(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(2), one Nb(1), and one Nb(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(2), one Nb(2), and one Bi(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ti(2), one Nb(2), and one Bi(2) atom. is represented by the CIF card [CIF]
data_TiNbBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.373
_cell_length_b   6.996
_cell_length_c   7.659
_cell_angle_alpha   67.808
_cell_angle_beta   69.695
_cell_angle_gamma   81.722
_symmetry_Int_Tables_number   1
_cell_volume   250.007
_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  0.287  0.875  0.480  1.0
  Ti  Ti1  1  0.801  0.885  0.963  1.0
  Nb  Nb2  1  0.710  0.122  0.524  1.0
  Nb  Nb3  1  0.206  0.110  0.039  1.0
  Bi  Bi4  1  0.740  0.508  0.748  1.0
  Bi  Bi5  1  0.276  0.524  0.243  1.0
  O  O6  1  0.156  0.617  0.557  1.0
  O  O7  1  0.845  0.388  0.433  1.0
  O  O8  1  0.015  0.039  0.326  1.0
  O  O9  1  0.986  0.946  0.682  1.0
  O  O10  1  0.294  0.372  0.019  1.0
  O  O11  1  0.695  0.631  0.985  1.0
  O  O12  1  0.558  0.814  0.592  1.0
  O  O13  1  0.436  0.184  0.407  1.0
  O  O14  1  0.473  0.895  0.190  1.0
  O  O15  1  0.525  0.100  0.809  1.0
  O  O16  1  0.925  0.183  0.931  1.0
  O  O17  1  0.070  0.808  0.072  1.0
[/CIF]
.