NiNb2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Nb(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. Ni(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Ni(1) atom.
NiNb2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Nb(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. The Nb(1)-O(2) bond length is 1.84 Å. There is one shorter (1.94 Å) and one longer (2.10 Å) Nb(1)-O(3) bond length. There are a spread of Nb(1)-O(1) bond distances ranging from 1.97-2.29 Å. Ni(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. Both Ni(1)-O(3) bond lengths are 2.07 Å. There are two shorter (2.03 Å) and two longer (2.04 Å) Ni(1)-O(2) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Ni(1) atom.