Materials Data on CeSmI4 by Materials Project

Abstract

SmCeI4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Sm–I bond distances ranging from 3.22–3.41 Å. Ce is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Ce–I bond distances ranging from 3.23–3.53 Å. There are four inequivalent I sites. In the first I site, I is bonded to two equivalent Sm and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 tetrahedra. In the second I site, I is bonded to two equivalent Sm and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 tetrahedra. In the third I site, I is bonded to two equivalent Sm and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 trigonal pyramids. In the fourth I site, I is bonded to two equivalent Sm and two equivalent Ce atoms to form a mixture of distorted corner, edge, and face-sharing ICe2Sm2 trigonal pyramids.