Nb3PbS6 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to six equivalent S(1) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. In the second Nb site, Nb(2) is bonded to six equivalent S(1) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. Pb(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), two equivalent Nb(2), and one Pb(1) atom.
Nb3PbS6 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to six equivalent S(1) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb(1)-S(1) bond lengths are 2.51 Å. In the second Nb site, Nb(2) is bonded to six equivalent S(1) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb(2)-S(1) bond lengths are 2.49 Å. Pb(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. All Pb(1)-S(1) bond lengths are 2.93 Å. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), two equivalent Nb(2), and one Pb(1) atom.