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DOE OSTI2020

Materials Data on SmCl2 by Materials Project

SmCl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Sm–Cl bond distances ranging from 2.82–2.89 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Sm2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on SmCl2 by Materials Project

SmCl2 is zeta iron carbide structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing SmCl6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two shorter (2.80 Å) and four longer (2.82 Å) Sm–Cl bond lengths. Cl1- is bonded in a 3-coordinate geometry to three equivalent Sm2+ atoms.

36 MATERIALS SCIENCE↗