Pt5TlAs crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to two equivalent Tl(1) and two equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing PtTl2As2 tetrahedra. In the second Pt site, Pt(2) is bonded in a distorted square co-planar geometry to four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form a mixture of face and corner-sharing TlPt12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(1) atoms.
Pt5TlAs crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to two equivalent Tl(1) and two equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing PtTl2As2 tetrahedra. Both Pt(1)-Tl(1) bond lengths are 2.93 Å. Both Pt(1)-As(1) bond lengths are 2.54 Å. In the second Pt site, Pt(2) is bonded in a distorted square co-planar geometry to four equivalent Tl(1) atoms. All Pt(2)-Tl(1) bond lengths are 2.88 Å. Tl(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form a mixture of face and corner-sharing TlPt12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(1) atoms.