AuTlSb is Marcasite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to one Tl(1), two equivalent Tl(2), one Sb(2), and two equivalent Sb(1) atoms to form corner-sharing AuTl3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 54-80°. In the second Au site, Au(2) is bonded to one Tl(2), two equivalent Tl(1), one Sb(1), and two equivalent Sb(2) atoms to form corner-sharing AuTl3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 49-80°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal planar geometry to one Au(2) and two equivalent Au(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Au(2) and two equivalent Au(1) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms.
AuTlSb is Marcasite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to one Tl(1), two equivalent Tl(2), one Sb(2), and two equivalent Sb(1) atoms to form corner-sharing AuTl3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 54-80°. The Au(1)-Tl(1) bond length is 3.05 Å. There is one shorter (2.94 Å) and one longer (3.01 Å) Au(1)-Tl(2) bond length. The Au(1)-Sb(2) bond length is 2.74 Å. There is one shorter (2.74 Å) and one longer (2.80 Å) Au(1)-Sb(1) bond length. In the second Au site, Au(2) is bonded to one Tl(2), two equivalent Tl(1), one Sb(1), and two equivalent Sb(2) atoms to form corner-sharing AuTl3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 49-80°. The Au(2)-Tl(2) bond length is 2.97 Å. There is one shorter (2.92 Å) and one longer (2.95 Å) Au(2)-Tl(1) bond length. The Au(2)-Sb(1) bond length is 2.75 Å. There is one shorter (2.72 Å) and one longer (2.80 Å) Au(2)-Sb(2) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms. In the second Tl site, Tl(2) is bonded in a distorted trigonal planar geometry to one Au(2) and two equivalent Au(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Au(2) and two equivalent Au(1) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Au(2) atoms.