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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeI3 by Materials Project

CeI3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two CeI3 sheets oriented in the (0, 1, 0) direction. Ce3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Ce–I bond distances ranging from 3.16–3.51 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Ce3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeI3 by Materials Project

CeI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two CeI3 ribbons oriented in the (0, 0, 1) direction. Ce3+ is bonded to six equivalent I1- atoms to form distorted face-sharing CeI6 pentagonal pyramids. All Ce–I bond lengths are 3.16 Å. I1- is bonded in an L-shaped geometry to two equivalent Ce3+ atoms.

36 MATERIALS SCIENCE↗