Pb3Mn5V2O16 crystallizes in the trigonal P-3m1 space group. V(1) is bonded to one O(2) and three equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with three equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. In the second Pb site, Pb(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1), one Mn(2), and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms.
Pb3Mn5V2O16 crystallizes in the trigonal P-3m1 space group. V(1) is bonded to one O(2) and three equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 24°. The V(1)-O(2) bond length is 1.69 Å. All V(1)-O(3) bond lengths are 1.77 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. Both Mn(1)-O(4) bond lengths are 1.95 Å. All Mn(1)-O(1) bond lengths are 1.96 Å. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with three equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Mn(2)-O(1) bond lengths are 2.11 Å. All Mn(2)-O(3) bond lengths are 2.21 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. The Pb(1)-O(2) bond length is 2.61 Å. All Pb(1)-O(1) bond lengths are 2.51 Å. In the second Pb site, Pb(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(3) atoms. All Pb(2)-O(3) bond lengths are 2.70 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1), one Mn(2), and one Pb(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms.