CeNbTiO6 crystallizes in the orthorhombic Pna2_1 space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(1), one Ti(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ce(1), one Ti(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ce(1), one Ti(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1), one Ti(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded to two equivalent Ce(1), one Ti(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OCe2TiNb trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Ce(1), one Ti(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OCe2TiNb tetrahedra.
CeNbTiO6 crystallizes in the orthorhombic Pna2_1 space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. The Ce(1)-O(1) bond length is 2.55 Å. The Ce(1)-O(2) bond length is 2.53 Å. The Ce(1)-O(3) bond length is 2.39 Å. The Ce(1)-O(4) bond length is 2.38 Å. There is one shorter (2.42 Å) and one longer (2.48 Å) Ce(1)-O(5) bond length. There is one shorter (2.42 Å) and one longer (2.49 Å) Ce(1)-O(6) bond length. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. The Ti(1)-O(1) bond length is 1.88 Å. The Ti(1)-O(2) bond length is 2.04 Å. The Ti(1)-O(3) bond length is 1.99 Å. The Ti(1)-O(4) bond length is 1.95 Å. The Ti(1)-O(5) bond length is 1.94 Å. The Ti(1)-O(6) bond length is 2.19 Å. Nb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted NbO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. The Nb(1)-O(1) bond length is 2.03 Å. The Nb(1)-O(2) bond length is 1.89 Å. The Nb(1)-O(3) bond length is 2.02 Å. The Nb(1)-O(4) bond length is 2.01 Å. The Nb(1)-O(5) bond length is 2.25 Å. The Nb(1)-O(6) bond length is 2.00 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ce(1), one Ti(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ce(1), one Ti(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ce(1), one Ti(1), and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ce(1), one Ti(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded to two equivalent Ce(1), one Ti(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OCe2TiNb trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Ce(1), one Ti(1), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OCe2TiNb tetrahedra.