Materials Data on CeNdI4 by Materials Project
NdCeI4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Nd–I bond distances ranging from 3.27–3.43 Å. Ce is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Ce–I bond distances ranging from 3.24–3.54 Å. There are four inequivalent I sites. In the first I site, I is bonded to two equivalent Nd and two equivalent Ce atoms to form a mixture of distorted face, edge, and corner-sharing ICe2Nd2 tetrahedra. In the second I site, I is bonded to two equivalent Nd and two equivalent Ce atoms to form a mixture of distorted face, edge, and corner-sharing ICe2Nd2 tetrahedra. In the third I site, I is bonded to two equivalent Nd and two equivalent Ce atoms to form a mixture of distorted face, edge, and corner-sharing ICe2Nd2 trigonal pyramids. In the fourth I site, I is bonded to two equivalent Nd and two equivalent Ce atoms to form a mixture of distorted face, edge, and corner-sharing ICe2Nd2 trigonal pyramids.