CaThI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. Ca(1) is bonded to six equivalent I(1) atoms to form CaI6 octahedra that share corners with six equivalent Th(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. Th(1) is bonded to six equivalent I(1) atoms to form ThI6 octahedra that share corners with six equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. I(1) is bonded in a bent 120 degrees geometry to one Ca(1) and one Th(1) atom.
CaThI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. Ca(1) is bonded to six equivalent I(1) atoms to form CaI6 octahedra that share corners with six equivalent Th(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ca(1)-I(1) bond lengths are 3.18 Å. Th(1) is bonded to six equivalent I(1) atoms to form ThI6 octahedra that share corners with six equivalent Ca(1)I6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Th(1)-I(1) bond lengths are 3.08 Å. I(1) is bonded in a bent 120 degrees geometry to one Ca(1) and one Th(1) atom.