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DOE OSTI2020

Materials Data on Ce2InGe2 by Materials Project

Ce2Ge2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to four equivalent In and six equivalent Ge atoms. All Ce–In bond lengths are 3.51 Å. There are two shorter (3.05 Å) and four longer (3.16 Å) Ce–Ge bond lengths. In is bonded to eight equivalent Ce and four equivalent Ge atoms to form a mixture of corner and face-sharing InCe8Ge4 cuboctahedra. All In–Ge bond lengths are 2.99 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Ce, two equivalent In, and one Ge atom. The Ge–Ge bond length is 2.54 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ce3In4Ge by Materials Project

Ce3In4Ge crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to six equivalent In and two equivalent Ge atoms. There are two shorter (3.09 Å) and four longer (3.32 Å) Ce–In bond lengths. Both Ce–Ge bond lengths are 3.12 Å. In the second Ce site, Ce is bonded in a 2-coordinate geometry to eight equivalent In and two equivalent Ge atoms. All Ce–In bond lengths are 3.29 Å. Both Ce–Ge bond lengths are 2.89 Å. In is bonded in a 1-coordinate geometry to five Ce and three equivalent In atoms. There are two shorter (2.88 Å) and one longer (2.95 Å) In–In bond lengths. Ge is bonded to six Ce atoms to form corner-sharing GeCe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°.

36 MATERIALS SCIENCE↗