Materials Data on ThSnI6 by Materials Project
ThSnI6 is Upper Bainite-derived structured and 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 SnI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Th–I bond lengths are 3.08 Å. Sn2+ is bonded to six equivalent I1- atoms to form SnI6 octahedra that share corners with six equivalent ThI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sn–I bond lengths are 3.22 Å. I1- is bonded in a distorted bent 120 degrees geometry to one Th4+ and one Sn2+ atom.
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