Lu2PbS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the second Lu site, Lu(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. Pb(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Lu(2), two equivalent Lu(1), and two equivalent Pb(1) atoms. In the second S site, S(2) is bonded to three equivalent Lu(2) and two equivalent Pb(1) atoms to form distorted edge-sharing SLu3Pb2 square pyramids. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Lu(1) and two equivalent Lu(2) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to three equivalent Lu(1) and two equivalent Pb(1) atoms.
Lu2PbS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one S(3), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. The Lu(1)-S(3) bond length is 2.65 Å. Both Lu(1)-S(1) bond lengths are 2.70 Å. There is one shorter (2.65 Å) and two longer (2.68 Å) Lu(1)-S(4) bond lengths. In the second Lu site, Lu(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. The Lu(2)-S(1) bond length is 2.70 Å. Both Lu(2)-S(3) bond lengths are 2.63 Å. There is one shorter (2.68 Å) and two longer (2.69 Å) Lu(2)-S(2) bond lengths. Pb(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. Both Pb(1)-S(1) bond lengths are 3.11 Å. Both Pb(1)-S(2) bond lengths are 3.05 Å. Both Pb(1)-S(4) bond lengths are 3.10 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Lu(2), two equivalent Lu(1), and two equivalent Pb(1) atoms. In the second S site, S(2) is bonded to three equivalent Lu(2) and two equivalent Pb(1) atoms to form distorted edge-sharing SLu3Pb2 square pyramids. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Lu(1) and two equivalent Lu(2) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to three equivalent Lu(1) and two equivalent Pb(1) atoms.