LuNbO4 crystallizes in the monoclinic C2/m space group. Lu(1) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 43°. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Lu(1) and one Nb(1) atom to form a mixture of edge and corner-sharing OLu3Nb tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Lu(1) and two equivalent Nb(1) atoms.
LuNbO4 crystallizes in the monoclinic C2/m space group. Lu(1) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 43°. The Lu(1)-O(1) bond length is 2.17 Å. The Lu(1)-O(2) bond length is 2.14 Å. The Lu(1)-O(4) bond length is 2.32 Å. There are two shorter (2.15 Å) and one longer (2.36 Å) Lu(1)-O(3) bond length. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. The Nb(1)-O(2) bond length is 1.83 Å. The Nb(1)-O(3) bond length is 2.15 Å. There is one shorter (1.91 Å) and one longer (2.36 Å) Nb(1)-O(1) bond length. Both Nb(1)-O(4) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Lu(1) and one Nb(1) atom to form a mixture of edge and corner-sharing OLu3Nb tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Lu(1) and two equivalent Nb(1) atoms.