PbCuAsS3 crystallizes in the orthorhombic Pmn2_1 space group. Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form corner-sharing CuS4 tetrahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(4), and two equivalent S(3) atoms. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one S(4) and two equivalent S(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one S(4) and two equivalent S(3) atoms. In the second As site, As(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent Cu(1), one Pb(1), and one As(2) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to one Cu(1), one Pb(2), and one As(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Cu(1), one Pb(1), and one As(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Cu(1), one Pb(1), one Pb(2), and one As(1) atom.
PbCuAsS3 crystallizes in the orthorhombic Pmn2_1 space group. Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form corner-sharing CuS4 tetrahedra. The Cu(1)-S(1) bond length is 2.27 Å. The Cu(1)-S(2) bond length is 2.35 Å. The Cu(1)-S(3) bond length is 2.32 Å. The Cu(1)-S(4) bond length is 2.37 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(4), and two equivalent S(3) atoms. The Pb(1)-S(1) bond length is 2.86 Å. The Pb(1)-S(4) bond length is 3.03 Å. Both Pb(1)-S(3) bond lengths are 2.85 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one S(4) and two equivalent S(2) atoms. The Pb(2)-S(4) bond length is 2.91 Å. Both Pb(2)-S(2) bond lengths are 2.90 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted trigonal non-coplanar geometry to one S(4) and two equivalent S(3) atoms. The As(1)-S(4) bond length is 2.33 Å. Both As(1)-S(3) bond lengths are 2.31 Å. In the second As site, As(2) is bonded in a distorted trigonal non-coplanar geometry to one S(1) and two equivalent S(2) atoms. The As(2)-S(1) bond length is 2.29 Å. Both As(2)-S(2) bond lengths are 2.30 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent Cu(1), one Pb(1), and one As(2) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to one Cu(1), one Pb(2), and one As(2) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Cu(1), one Pb(1), and one As(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Cu(1), one Pb(1), one Pb(2), and one As(1) atom.