Materials Data on Ce2In5Pd4 by Materials Project
Ce2Pd4In5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 4-coordinate geometry to six Pd atoms. There are a spread of Ce–Pd bond distances ranging from 2.92–3.31 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four Pd and ten In atoms. There are two shorter (3.25 Å) and two longer (3.28 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.37–3.49 Å. There are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.89 Å. In the second Pd site, Pd is bonded in a body-centered cubic geometry to one Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.90 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to three Ce and six In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.97 Å. In the fourth Pd site, Pd is bonded in a distorted body-centered cubic geometry to three equivalent Ce and five In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.90 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to one Ce and six Pd atoms. In the second In site, In is bonded in a 8-coordinate geometry to two equivalent Ce and six Pd atoms. In the third In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms. In the fourth In site, In is bonded in a 6-coordinate geometry to one Ce and six Pd atoms. In the fifth In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms.