PbTa2O6 crystallizes in the orthorhombic Pbcn space group. Ta(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), and three equivalent O(3) atoms. Pb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing PbO6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ta(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ta(1) atoms.
PbTa2O6 crystallizes in the orthorhombic Pbcn space group. Ta(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), and three equivalent O(3) atoms. The Ta(1)-O(1) bond length is 1.82 Å. There is one shorter (1.95 Å) and one longer (2.05 Å) Ta(1)-O(2) bond length. There are a spread of Ta(1)-O(3) bond distances ranging from 1.97-2.46 Å. Pb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted edge-sharing PbO6 pentagonal pyramids. Both Pb(1)-O(2) bond lengths are 2.53 Å. There are two shorter (2.55 Å) and two longer (2.58 Å) Pb(1)-O(1) bond lengths. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ta(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ta(1) atoms.