YCuPbS3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form YS6 octahedra that share corners with two equivalent Y(1)S6 octahedra, edges with two equivalent Y(1)S6 octahedra, and edges with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Y(1)S6 octahedra. Pb(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent 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 6-coordinate geometry to two equivalent Y(1), two equivalent Cu(1), and two equivalent Pb(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Y(1), one Cu(1), and two equivalent Pb(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), one Cu(1), and two equivalent Pb(1) atoms.
YCuPbS3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form YS6 octahedra that share corners with two equivalent Y(1)S6 octahedra, edges with two equivalent Y(1)S6 octahedra, and edges with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. Both Y(1)-S(1) bond lengths are 2.75 Å. Both Y(1)-S(2) bond lengths are 2.76 Å. Both Y(1)-S(3) bond lengths are 2.75 Å. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Y(1)S6 octahedra. The Cu(1)-S(2) bond length is 2.32 Å. The Cu(1)-S(3) bond length is 2.32 Å. Both Cu(1)-S(1) bond lengths are 2.41 Å. Pb(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. Both Pb(1)-S(1) bond lengths are 3.04 Å. Both Pb(1)-S(2) bond lengths are 3.08 Å. Both Pb(1)-S(3) bond lengths are 3.06 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Cu(1), and two equivalent Pb(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Y(1), one Cu(1), and two equivalent Pb(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), one Cu(1), and two equivalent Pb(1) atoms.