Pd3TlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Pd(1) is bonded to four equivalent Tl(1) and two equivalent H(1) atoms to form a mixture of corner, edge, and face-sharing PdTl4H2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Tl(1) is bonded to twelve equivalent Pd(1) atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent Tl(1)Pd12 cuboctahedra, faces with six equivalent Tl(1)Pd12 cuboctahedra, and faces with eight equivalent H(1)Pd6 octahedra. H(1) is bonded to six equivalent Pd(1) atoms to form HPd6 octahedra that share corners with six equivalent H(1)Pd6 octahedra and faces with eight equivalent Tl(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted.
Pd3TlH is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Pd(1) is bonded to four equivalent Tl(1) and two equivalent H(1) atoms to form a mixture of corner, edge, and face-sharing PdTl4H2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. All Pd(1)-Tl(1) bond lengths are 2.90 Å. Both Pd(1)-H(1) bond lengths are 2.05 Å. Tl(1) is bonded to twelve equivalent Pd(1) atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent Tl(1)Pd12 cuboctahedra, faces with six equivalent Tl(1)Pd12 cuboctahedra, and faces with eight equivalent H(1)Pd6 octahedra. H(1) is bonded to six equivalent Pd(1) atoms to form HPd6 octahedra that share corners with six equivalent H(1)Pd6 octahedra and faces with eight equivalent Tl(1)Pd12 cuboctahedra. The corner-sharing octahedra are not tilted.