The compound described by Ti5Nb2O14 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent Ti(5)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Ti(6)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the third Ti site, Ti(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with four equivalent Ti(6)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(8) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with eight equivalent Nb(2)O6 octahedra and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fifth Ti site, Ti(5) is bonded to two equivalent O(1) and four equivalent O(7) atoms to form TiO6 octahedra that share corners with eight equivalent Ti(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the sixth Ti site, Ti(6) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Nb site, Nb(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with four equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  an edgeedge with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to one Ti(3), one Ti(4), and one Nb(2) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(6), and one Nb(2) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(6), and one Nb(1) atom. In the fourth O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(5), and one Nb(1) atom. In the fifth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(4) and two equivalent Nb(2) atoms. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(5) and two equivalent Ti(1) atoms. In the seventh O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(3), and one Ti(6) atom. In the eighth O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti5Nb2O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.732
_cell_length_b   4.732
_cell_length_c   21.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.565
_symmetry_Int_Tables_number   1
_cell_volume   471.611
_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  0.000  0.000  0.930  1.0
  Ti  Ti1  1  0.000  0.000  0.785  1.0
  Ti  Ti2  1  0.000  0.000  0.646  1.0
  Ti  Ti3  1  0.000  0.000  0.070  1.0
  Ti  Ti4  1  0.000  0.000  0.215  1.0
  Ti  Ti5  1  0.000  0.000  0.354  1.0
  Ti  Ti6  1  0.000  0.000  0.500  1.0
  Ti  Ti7  1  0.500  0.500  0.000  1.0
  Ti  Ti8  1  0.500  0.500  0.716  1.0
  Ti  Ti9  1  0.500  0.500  0.284  1.0
  Nb  Nb10  1  0.500  0.500  0.143  1.0
  Nb  Nb11  1  0.500  0.500  0.426  1.0
  Nb  Nb12  1  0.500  0.500  0.857  1.0
  Nb  Nb13  1  0.500  0.500  0.574  1.0
  O  O14  1  0.195  0.195  0.000  1.0
  O  O15  1  0.195  0.195  0.714  1.0
  O  O16  1  0.193  0.193  0.857  1.0
  O  O17  1  0.193  0.193  0.143  1.0
  O  O18  1  0.195  0.195  0.286  1.0
  O  O19  1  0.194  0.194  0.429  1.0
  O  O20  1  0.194  0.194  0.571  1.0
  O  O21  1  0.699  0.301  0.644  1.0
  O  O22  1  0.699  0.301  0.785  1.0
  O  O23  1  0.698  0.302  0.070  1.0
  O  O24  1  0.699  0.301  0.215  1.0
  O  O25  1  0.699  0.301  0.356  1.0
  O  O26  1  0.698  0.302  0.930  1.0
  O  O27  1  0.701  0.299  0.500  1.0
  O  O28  1  0.301  0.699  0.644  1.0
  O  O29  1  0.301  0.699  0.785  1.0
  O  O30  1  0.302  0.698  0.930  1.0
  O  O31  1  0.302  0.698  0.070  1.0
  O  O32  1  0.301  0.699  0.356  1.0
  O  O33  1  0.299  0.701  0.500  1.0
  O  O34  1  0.301  0.699  0.215  1.0
  O  O35  1  0.805  0.805  0.714  1.0
  O  O36  1  0.807  0.807  0.857  1.0
  O  O37  1  0.805  0.805  0.000  1.0
  O  O38  1  0.807  0.807  0.143  1.0
  O  O39  1  0.805  0.805  0.286  1.0
  O  O40  1  0.806  0.806  0.429  1.0
  O  O41  1  0.806  0.806  0.571  1.0
[/CIF]
.
The compound described by Ti5Nb2O14 is Rutile-derived structured and crystallizes in the orthorhombic Cmmm space group. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent Ti(5)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Ti(6)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the third Ti site, Ti(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with four equivalent Ti(6)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Ti site, Ti(4) is bonded to two equivalent O(8) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with eight equivalent Nb(2)O6 octahedra and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fifth Ti site, Ti(5) is bonded to two equivalent O(1) and four equivalent O(7) atoms to form TiO6 octahedra that share corners with eight equivalent Ti(1)O6 octahedra and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the sixth Ti site, Ti(6) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the second Nb site, Nb(2) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with four equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  an edgeedge with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a trigonal planar geometry to one Ti(3), one Ti(4), and one Nb(2) atom. In the second O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(6), and one Nb(2) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(6), and one Nb(1) atom. In the fourth O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(5), and one Nb(1) atom. In the fifth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(4) and two equivalent Nb(2) atoms. In the sixth O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(5) and two equivalent Ti(1) atoms. In the seventh O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(3), and one Ti(6) atom. In the eighth O site, O(3) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti5Nb2O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.732
_cell_length_b   4.732
_cell_length_c   21.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.565
_symmetry_Int_Tables_number   1
_cell_volume   471.611
_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  0.000  0.000  0.930  1.0
  Ti  Ti1  1  0.000  0.000  0.785  1.0
  Ti  Ti2  1  0.000  0.000  0.646  1.0
  Ti  Ti3  1  0.000  0.000  0.070  1.0
  Ti  Ti4  1  0.000  0.000  0.215  1.0
  Ti  Ti5  1  0.000  0.000  0.354  1.0
  Ti  Ti6  1  0.000  0.000  0.500  1.0
  Ti  Ti7  1  0.500  0.500  0.000  1.0
  Ti  Ti8  1  0.500  0.500  0.716  1.0
  Ti  Ti9  1  0.500  0.500  0.284  1.0
  Nb  Nb10  1  0.500  0.500  0.143  1.0
  Nb  Nb11  1  0.500  0.500  0.426  1.0
  Nb  Nb12  1  0.500  0.500  0.857  1.0
  Nb  Nb13  1  0.500  0.500  0.574  1.0
  O  O14  1  0.195  0.195  0.000  1.0
  O  O15  1  0.195  0.195  0.714  1.0
  O  O16  1  0.193  0.193  0.857  1.0
  O  O17  1  0.193  0.193  0.143  1.0
  O  O18  1  0.195  0.195  0.286  1.0
  O  O19  1  0.194  0.194  0.429  1.0
  O  O20  1  0.194  0.194  0.571  1.0
  O  O21  1  0.699  0.301  0.644  1.0
  O  O22  1  0.699  0.301  0.785  1.0
  O  O23  1  0.698  0.302  0.070  1.0
  O  O24  1  0.699  0.301  0.215  1.0
  O  O25  1  0.699  0.301  0.356  1.0
  O  O26  1  0.698  0.302  0.930  1.0
  O  O27  1  0.701  0.299  0.500  1.0
  O  O28  1  0.301  0.699  0.644  1.0
  O  O29  1  0.301  0.699  0.785  1.0
  O  O30  1  0.302  0.698  0.930  1.0
  O  O31  1  0.302  0.698  0.070  1.0
  O  O32  1  0.301  0.699  0.356  1.0
  O  O33  1  0.299  0.701  0.500  1.0
  O  O34  1  0.301  0.699  0.215  1.0
  O  O35  1  0.805  0.805  0.714  1.0
  O  O36  1  0.807  0.807  0.857  1.0
  O  O37  1  0.805  0.805  0.000  1.0
  O  O38  1  0.807  0.807  0.143  1.0
  O  O39  1  0.805  0.805  0.286  1.0
  O  O40  1  0.806  0.806  0.429  1.0
  O  O41  1  0.806  0.806  0.571  1.0
[/CIF]
.