Materials Data on ThPbI6 by Materials Project
ThPbI6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Th4+ is bonded to six equivalent I1- atoms to form ThI6 octahedra that share corners with six equivalent PbI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Th–I bond lengths are 3.08 Å. Pb2+ is bonded to six equivalent I1- atoms to form PbI6 octahedra that share corners with six equivalent ThI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Pb–I bond lengths are 3.27 Å. I1- is bonded in a 2-coordinate geometry to one Th4+ and one Pb2+ atom.
36 MATERIALS SCIENCE↗