BiNbO4 crystallizes in the orthorhombic Pnna space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 41°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Bi(1) atom.
BiNbO4 crystallizes in the orthorhombic Pnna space group. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 41°. Both Nb(1)-O(1) bond lengths are 2.01 Å. There are two shorter (1.88 Å) and two longer (2.20 Å) Nb(1)-O(2) bond lengths. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Bi(1)-O(2) bond lengths are 2.71 Å. There are two shorter (2.15 Å) and two longer (2.32 Å) Bi(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Bi(1) atom.