Pd5TlP crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to two equivalent Pd(2), five equivalent Pd(1), two equivalent Tl(1), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to eight equivalent Pd(1) and four equivalent Tl(1) atoms. Tl(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form a mixture of face and corner-sharing TlPd12 cuboctahedra. P(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.
Pd5TlP crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 11-coordinate geometry to two equivalent Pd(2), five equivalent Pd(1), two equivalent Tl(1), and two equivalent P(1) atoms. Both Pd(1)-Pd(2) bond lengths are 2.92 Å. There is one shorter (2.78 Å) and four longer (2.81 Å) Pd(1)-Pd(1) bond lengths. Both Pd(1)-Tl(1) bond lengths are 2.92 Å. Both Pd(1)-P(1) bond lengths are 2.42 Å. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to eight equivalent Pd(1) and four equivalent Tl(1) atoms. All Pd(2)-Tl(1) bond lengths are 2.81 Å. Tl(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form a mixture of face and corner-sharing TlPd12 cuboctahedra. P(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.