Pb2V2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing VO4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(3) atoms. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one V(2) and one Pb(1) atom. In the third O site, O(7) is bonded in a single-bond geometry to one V(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), and one Pb(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), and two equivalent Pb(2) atoms. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom.
Pb2V2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing VO4 tetrahedra. The V(1)-O(1) bond length is 1.70 Å. The V(1)-O(2) bond length is 1.68 Å. The V(1)-O(3) bond length is 1.73 Å. The V(1)-O(4) bond length is 1.80 Å. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing VO4 tetrahedra. The V(2)-O(4) bond length is 1.81 Å. The V(2)-O(5) bond length is 1.70 Å. The V(2)-O(6) bond length is 1.72 Å. The V(2)-O(7) bond length is 1.67 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. The Pb(1)-O(1) bond length is 2.54 Å. The Pb(1)-O(2) bond length is 2.56 Å. The Pb(1)-O(3) bond length is 2.72 Å. The Pb(1)-O(5) bond length is 2.62 Å. The Pb(1)-O(6) bond length is 2.38 Å. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(3) atoms. The Pb(2)-O(1) bond length is 2.56 Å. The Pb(2)-O(5) bond length is 2.40 Å. There is one shorter (2.48 Å) and one longer (2.56 Å) Pb(2)-O(3) bond length. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one V(2) and one Pb(1) atom. In the third O site, O(7) is bonded in a single-bond geometry to one V(2) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), and one Pb(2) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), and two equivalent Pb(2) atoms. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom.