PbV6O11 crystallizes in the triclinic P1 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-58°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(4), one O(6), and one O(7) atom to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-57°. In the third V site, V(3) is bonded to one O(11), one O(12), one O(13), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(10)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourth V site, V(4) is bonded to one O(10), one O(14), one O(20), one O(21), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent V(12)O6 octahedra, corners with two equivalent V(8)O6 octahedra, corners with two equivalent V(9)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fifth V site, V(5) is bonded to one O(10), one O(16), one O(17), one O(19), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent V(10)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the sixth V site, V(6) is bonded to one O(15), one O(18), one O(22), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(12)O6 octahedra, corners with two equivalent V(8)O6 octahedra, corners with two equivalent V(9)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 range from 53-57°. In the seventh V site, V(7) is bonded to one O(11), one O(13), one O(16), one O(17), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the eighth V site, V(8) is bonded to one O(1), one O(14), one O(18), one O(21), one O(22), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(12)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the ninth V site, V(9) is bonded to one O(1), one O(15), one O(20), one O(21), one O(22), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(12)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the tenth V site, V(10) is bonded to one O(11), one O(12), one O(16), one O(19), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the eleventh V site, V(11) is bonded to one O(12), one O(13), one O(17), one O(19), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the twelfth V site, V(12) is bonded to one O(1), one O(14), one O(15), one O(18), one O(20), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(8)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(14), one O(20), and one O(21) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(15), one O(18), and one O(22) atom. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(12), one V(2), one V(8), and one V(9) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(10), one V(11), and one V(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(12), one V(8), and one V(9) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(10), one V(11), one V(2), and one V(7) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(10), one V(3), and one V(7) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one V(10), one V(11), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(11), one V(3), and one V(7) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one V(12), one V(4), one V(8), and one Pb(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one V(12), one V(6), one V(9), and one Pb(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(10), one V(5), and one V(7) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one V(11), one V(5), and one V(7) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one V(12), one V(6), one V(8), and one Pb(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one V(10), one V(11), and one V(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one V(12), one V(4), one V(9), and one Pb(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(4), one V(8), one V(9), and one Pb(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(6), one V(8), one V(9), and one Pb(2) atom.
PbV6O11 crystallizes in the triclinic P1 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-58°. The V(1)-O(2) bond length is 2.17 Å. The V(1)-O(3) bond length is 2.25 Å. The V(1)-O(5) bond length is 1.93 Å. The V(1)-O(8) bond length is 1.91 Å. The V(1)-O(9) bond length is 1.93 Å. In the second V site, V(2) is bonded to one O(1), one O(10), one O(4), one O(6), and one O(7) atom to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-57°. The V(2)-O(1) bond length is 2.13 Å. The V(2)-O(10) bond length is 1.80 Å. The V(2)-O(4) bond length is 2.14 Å. The V(2)-O(6) bond length is 1.83 Å. The V(2)-O(7) bond length is 1.91 Å. In the third V site, V(3) is bonded to one O(11), one O(12), one O(13), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(10)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. The V(3)-O(11) bond length is 1.84 Å. The V(3)-O(12) bond length is 1.99 Å. The V(3)-O(13) bond length is 2.00 Å. The V(3)-O(5) bond length is 2.06 Å. The V(3)-O(8) bond length is 2.03 Å. The V(3)-O(9) bond length is 2.02 Å. In the fourth V site, V(4) is bonded to one O(10), one O(14), one O(20), one O(21), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent V(12)O6 octahedra, corners with two equivalent V(8)O6 octahedra, corners with two equivalent V(9)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. The V(4)-O(10) bond length is 2.16 Å. The V(4)-O(14) bond length is 1.98 Å. The V(4)-O(20) bond length is 1.98 Å. The V(4)-O(21) bond length is 2.00 Å. The V(4)-O(6) bond length is 2.14 Å. The V(4)-O(7) bond length is 2.06 Å. In the fifth V site, V(5) is bonded to one O(10), one O(16), one O(17), one O(19), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent V(10)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. The V(5)-O(10) bond length is 2.18 Å. The V(5)-O(16) bond length is 1.97 Å. The V(5)-O(17) bond length is 1.97 Å. The V(5)-O(19) bond length is 2.02 Å. The V(5)-O(6) bond length is 2.13 Å. The V(5)-O(7) bond length is 2.08 Å. In the sixth V site, V(6) is bonded to one O(15), one O(18), one O(22), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(12)O6 octahedra, corners with two equivalent V(8)O6 octahedra, corners with two equivalent V(9)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 range from 53-57°. The V(6)-O(15) bond length is 1.99 Å. The V(6)-O(18) bond length is 2.07 Å. The V(6)-O(22) bond length is 1.98 Å. The V(6)-O(5) bond length is 2.06 Å. The V(6)-O(8) bond length is 2.07 Å. The V(6)-O(9) bond length is 2.07 Å. In the seventh V site, V(7) is bonded to one O(11), one O(13), one O(16), one O(17), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. The V(7)-O(11) bond length is 2.07 Å. The V(7)-O(13) bond length is 2.01 Å. The V(7)-O(16) bond length is 1.97 Å. The V(7)-O(17) bond length is 2.02 Å. The V(7)-O(2) bond length is 2.09 Å. The V(7)-O(4) bond length is 2.11 Å. In the eighth V site, V(8) is bonded to one O(1), one O(14), one O(18), one O(21), one O(22), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(12)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. The V(8)-O(1) bond length is 2.07 Å. The V(8)-O(14) bond length is 1.96 Å. The V(8)-O(18) bond length is 1.93 Å. The V(8)-O(21) bond length is 1.95 Å. The V(8)-O(22) bond length is 1.98 Å. The V(8)-O(3) bond length is 1.99 Å. In the ninth V site, V(9) is bonded to one O(1), one O(15), one O(20), one O(21), one O(22), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(12)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. The V(9)-O(1) bond length is 2.11 Å. The V(9)-O(15) bond length is 2.01 Å. The V(9)-O(20) bond length is 2.00 Å. The V(9)-O(21) bond length is 2.02 Å. The V(9)-O(22) bond length is 2.02 Å. The V(9)-O(3) bond length is 2.09 Å. In the tenth V site, V(10) is bonded to one O(11), one O(12), one O(16), one O(19), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. The V(10)-O(11) bond length is 2.06 Å. The V(10)-O(12) bond length is 2.01 Å. The V(10)-O(16) bond length is 1.98 Å. The V(10)-O(19) bond length is 2.01 Å. The V(10)-O(2) bond length is 2.09 Å. The V(10)-O(4) bond length is 2.11 Å. In the eleventh V site, V(11) is bonded to one O(12), one O(13), one O(17), one O(19), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The V(11)-O(12) bond length is 1.99 Å. The V(11)-O(13) bond length is 1.98 Å. The V(11)-O(17) bond length is 1.97 Å. The V(11)-O(19) bond length is 1.93 Å. The V(11)-O(2) bond length is 1.99 Å. The V(11)-O(4) bond length is 2.04 Å. In the twelfth V site, V(12) is bonded to one O(1), one O(14), one O(15), one O(18), one O(20), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(8)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. The V(12)-O(1) bond length is 2.10 Å. The V(12)-O(14) bond length is 2.05 Å. The V(12)-O(15) bond length is 2.00 Å. The V(12)-O(18) bond length is 2.05 Å. The V(12)-O(20) bond length is 1.98 Å. The V(12)-O(3) bond length is 2.09 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(14), one O(20), and one O(21) atom. The Pb(1)-O(14) bond length is 2.70 Å. The Pb(1)-O(20) bond length is 2.66 Å. The Pb(1)-O(21) bond length is 2.69 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(15), one O(18), and one O(22) atom. The Pb(2)-O(15) bond length is 2.57 Å. The Pb(2)-O(18) bond length is 2.53 Å. The Pb(2)-O(22) bond length is 2.67 Å. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(12), one V(2), one V(8), and one V(9) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(10), one V(11), and one V(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(12), one V(8), and one V(9) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(10), one V(11), one V(2), and one V(7) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(10), one V(3), and one V(7) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one V(10), one V(11), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(11), one V(3), and one V(7) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one V(12), one V(4), one V(8), and one Pb(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one V(12), one V(6), one V(9), and one Pb(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(10), one V(5), and one V(7) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one V(11), one V(5), and one V(7) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one V(12), one V(6), one V(8), and one Pb(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one V(10), one V(11), and one V(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one V(12), one V(4), one V(9), and one Pb(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(4), one V(8), one V(9), and one Pb(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(6), one V(8), one V(9), and one Pb(2) atom.