Sc2PbS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one S(2), two equivalent S(4), and three equivalent S(1) atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the second Sc site, Sc(2) is bonded to one S(4), two equivalent S(2), and three equivalent S(3) atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. Pb(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), 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 three equivalent Sc(1) and two equivalent Pb(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Sc(1), two equivalent Sc(2), and one Pb(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Sc(2) and two equivalent Pb(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Sc(2), two equivalent Sc(1), and two equivalent Pb(1) atoms.
Sc2PbS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one S(2), two equivalent S(4), and three equivalent S(1) atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The Sc(1)-S(2) bond length is 2.60 Å. Both Sc(1)-S(4) bond lengths are 2.63 Å. There is one shorter (2.55 Å) and two longer (2.59 Å) Sc(1)-S(1) bond lengths. In the second Sc site, Sc(2) is bonded to one S(4), two equivalent S(2), and three equivalent S(3) atoms to form a mixture of edge and corner-sharing ScS6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The Sc(2)-S(4) bond length is 2.66 Å. Both Sc(2)-S(2) bond lengths are 2.57 Å. There is one shorter (2.57 Å) and two longer (2.60 Å) Sc(2)-S(3) bond lengths. Pb(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms. The Pb(1)-S(2) bond length is 3.11 Å. Both Pb(1)-S(1) bond lengths are 3.07 Å. Both Pb(1)-S(3) bond lengths are 3.05 Å. Both Pb(1)-S(4) bond lengths are 3.05 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to three equivalent Sc(1) and two equivalent Pb(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to one Sc(1), two equivalent Sc(2), and one Pb(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Sc(2) and two equivalent Pb(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Sc(2), two equivalent Sc(1), and two equivalent Pb(1) atoms.