Materials Data on Tb7PtI12 by Materials Project
Tb7PtI12 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to one Pt and five I atoms to form a mixture of distorted edge and corner-sharing TbPtI5 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. The Tb–Pt bond length is 2.74 Å. There are a spread of Tb–I bond distances ranging from 3.13–3.35 Å. In the second Tb site, Tb is bonded to six equivalent I atoms to form edge-sharing TbI6 octahedra. All Tb–I bond lengths are 3.09 Å. Pt is bonded in an octahedral geometry to six equivalent Tb atoms. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three equivalent Tb atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three Tb atoms.