ZrTl2PbS4 is Krennerite-derived structured and crystallizes in the monoclinic C2/c space group. Zr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ZrS6 octahedra that share edges with two equivalent Zr(1)S6 octahedra and edges with four equivalent Pb(1)S6 octahedra. Tl(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. Pb(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form PbS6 octahedra that share edges with two equivalent Pb(1)S6 octahedra and edges with four equivalent Zr(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1), one Tl(1), and one Pb(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Tl(1), and two equivalent Pb(1) atoms.
ZrTl2PbS4 is Krennerite-derived structured and crystallizes in the monoclinic C2/c space group. Zr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form ZrS6 octahedra that share edges with two equivalent Zr(1)S6 octahedra and edges with four equivalent Pb(1)S6 octahedra. Both Zr(1)-S(2) bond lengths are 2.55 Å. There are two shorter (2.60 Å) and two longer (2.65 Å) Zr(1)-S(1) bond lengths. Tl(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. The Tl(1)-S(1) bond length is 3.13 Å. There is one shorter (3.06 Å) and one longer (3.13 Å) Tl(1)-S(2) bond length. Pb(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form PbS6 octahedra that share edges with two equivalent Pb(1)S6 octahedra and edges with four equivalent Zr(1)S6 octahedra. Both Pb(1)-S(1) bond lengths are 2.93 Å. There are two shorter (2.95 Å) and two longer (2.98 Å) Pb(1)-S(2) bond lengths. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1), one Tl(1), and one Pb(1) atom. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Zr(1), two equivalent Tl(1), and two equivalent Pb(1) atoms.