PbHfS3 crystallizes in the orthorhombic Pnma space group. Hf(1) is bonded to one S(3), two equivalent S(2), and three equivalent S(1) atoms to form edge-sharing HfS6 octahedra. Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Hf(1) and one Pb(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Pb(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Pb(1) atoms.
PbHfS3 crystallizes in the orthorhombic Pnma space group. Hf(1) is bonded to one S(3), two equivalent S(2), and three equivalent S(1) atoms to form edge-sharing HfS6 octahedra. The Hf(1)-S(3) bond length is 2.49 Å. Both Hf(1)-S(2) bond lengths are 2.53 Å. There is one shorter (2.57 Å) and two longer (2.59 Å) Hf(1)-S(1) bond lengths. Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(2), and two equivalent S(3) atoms. The Pb(1)-S(1) bond length is 3.13 Å. The Pb(1)-S(2) bond length is 2.90 Å. Both Pb(1)-S(3) bond lengths are 2.73 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Hf(1) and one Pb(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Pb(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Pb(1) atoms.