NdNbO4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Nb(1) atoms.
NdNbO4 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two shorter (2.42 Å) and two longer (2.46 Å) Nd(1)-O(1) bond lengths. There are two shorter (2.44 Å) and two longer (2.49 Å) Nd(1)-O(2) bond lengths. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 tetrahedra. Both Nb(1)-O(1) bond lengths are 1.87 Å. There are two shorter (1.94 Å) and two longer (2.53 Å) Nb(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Nb(1) atoms.