PbV6O11 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-56°. In the second V site, V(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent V(3)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third V site, V(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Pb(1) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1) and three equivalent V(3) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), two equivalent V(3), and one Pb(1) atom.
PbV6O11 crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-56°. Both V(1)-O(1) bond lengths are 2.14 Å. All V(1)-O(2) bond lengths are 1.84 Å. In the second V site, V(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent V(3)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. All V(2)-O(2) bond lengths are 2.04 Å. All V(2)-O(3) bond lengths are 1.94 Å. In the third V site, V(3) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form VO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. Both V(3)-O(1) bond lengths are 2.04 Å. All V(3)-O(3) bond lengths are 1.98 Å. Pb(1) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. All Pb(1)-O(3) bond lengths are 2.77 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1) and three equivalent V(3) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), two equivalent V(3), and one Pb(1) atom.