MgNb2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MgO6 octahedra. Nb(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. 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 two equivalent Mg(1) and one Nb(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Nb(1) atoms.
MgNb2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing MgO6 octahedra. Both Mg(1)-O(3) bond lengths are 2.09 Å. There are two shorter (2.07 Å) and two longer (2.12 Å) Mg(1)-O(2) bond lengths. 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 1.83 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 1.97-2.32 Å. 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 two equivalent Mg(1) and one Nb(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Nb(1) atoms.