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.
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°. Both Ti(1)-O(1) bond lengths are 1.96 Å. Both Ti(1)-O(3) bond lengths are 2.01 Å. Both Ti(1)-O(7) bond lengths are 2.03 Å. 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°. Both Ti(2)-O(2) bond lengths are 1.97 Å. Both Ti(2)-O(3) bond lengths are 2.00 Å. Both Ti(2)-O(6) bond lengths are 2.03 Å. 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°. Both Ti(3)-O(2) bond lengths are 1.95 Å. Both Ti(3)-O(4) bond lengths are 2.03 Å. Both Ti(3)-O(5) bond lengths are 2.02 Å. 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°. Both Ti(4)-O(8) bond lengths are 2.01 Å. All Ti(4)-O(4) bond lengths are 1.98 Å. 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°. Both Ti(5)-O(1) bond lengths are 2.03 Å. All Ti(5)-O(7) bond lengths are 1.99 Å. 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°. Both Ti(6)-O(2) bond lengths are 2.03 Å. Both Ti(6)-O(5) bond lengths are 2.02 Å. Both Ti(6)-O(6) bond lengths are 1.98 Å. 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°. Both Nb(1)-O(3) bond lengths are 2.04 Å. Both Nb(1)-O(6) bond lengths are 2.03 Å. Both Nb(1)-O(7) bond lengths are 2.02 Å. 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°. Both Nb(2)-O(4) bond lengths are 2.04 Å. Both Nb(2)-O(5) bond lengths are 1.99 Å. Both Nb(2)-O(8) bond lengths are 2.06 Å. 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.