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DOE OSTI2020

Materials Data on TmCl2 by Materials Project

TmCl2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Tm is bonded to seven Cl atoms to form a mixture of distorted edge and corner-sharing TmCl7 pentagonal bipyramids. There are a spread of Tm–Cl bond distances ranging from 2.72–2.86 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded to four equivalent Tm atoms to form a mixture of distorted edge and corner-sharing ClTm4 tetrahedra. In the second Cl site, Cl is bonded in a trigonal planar geometry to three equivalent Tm atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmCl3 by Materials Project

TmCl3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Cl1- atoms to form corner-sharing TmCl6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Tm–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Tm3+ atoms.

36 MATERIALS SCIENCE↗