PbV6O11 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(5), and three equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-57°. In the second V site, V(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third V site, V(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(2)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the fourth V site, V(4) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent V(2)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. Pb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(3), two equivalent V(2), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one V(1) and three equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one V(1) and three equivalent V(2) atoms.
PbV6O11 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(5), and three equivalent O(2) atoms to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-57°. The V(1)-O(4) bond length is 2.17 Å. The V(1)-O(5) bond length is 2.39 Å. All V(1)-O(2) bond lengths are 1.91 Å. In the second V site, V(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. The V(2)-O(4) bond length is 2.05 Å. The V(2)-O(5) bond length is 2.03 Å. Both V(2)-O(1) bond lengths are 2.01 Å. Both V(2)-O(3) bond lengths are 1.95 Å. In the third V site, V(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent V(2)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. All V(3)-O(1) bond lengths are 2.04 Å. All V(3)-O(2) bond lengths are 2.07 Å. In the fourth V site, V(4) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent V(2)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. All V(4)-O(2) bond lengths are 2.06 Å. All V(4)-O(3) bond lengths are 2.00 Å. Pb(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. All Pb(1)-O(1) bond lengths are 2.52 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one V(3), two equivalent V(2), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(4) and two equivalent V(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one V(1) and three equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one V(1) and three equivalent V(2) atoms.