NbPbS2 crystallizes in the hexagonal P6_3/mmc space group. Nb(1) is bonded to six equivalent S(1) atoms to form distorted edge-sharing NbS6 pentagonal pyramids. Pb(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb(1) and one Pb(1) atom.
NbPbS2 crystallizes in the hexagonal P6_3/mmc space group. 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 2.49 Å. Pb(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. Both Pb(1)-S(1) bond lengths are 2.92 Å. S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Nb(1) and one Pb(1) atom.