Materials Data on Ce4In21Pd10 by Materials Project
Ce4Pd10In21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.39 Å) and two longer (3.48 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.18–3.94 Å. In the second Ce site, Ce is bonded in a 10-coordinate geometry to four Pd and eleven In atoms. There are two shorter (3.34 Å) and two longer (3.44 Å) Ce–Pd bond lengths. There are a spread of Ce–In bond distances ranging from 3.19–3.94 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.69–2.85 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.91 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.79–2.84 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Ce and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.75–3.23 Å. In the fifth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.87 Å. There are eleven inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Pd atoms. In the second In site, In is bonded in a 1-coordinate geometry to two Ce and three Pd atoms. In the third In site, In is bonded in a 5-coordinate geometry to two equivalent Ce and three Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two Ce and five Pd atoms. In the fifth In site, In is bonded in a 12-coordinate geometry to three Ce and four Pd atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to one Ce and four Pd atoms. In the seventh In site, In is bonded in a 3-coordinate geometry to three Ce and three Pd atoms. In the eighth In site, In is bonded in a 5-coordinate geometry to two equivalent Ce and three Pd atoms. In the ninth In site, In is bonded in a 4-coordinate geometry to one Ce and four Pd atoms. In the tenth In site, In is bonded in a 12-coordinate geometry to three equivalent Ce and four Pd atoms. In the eleventh In site, In is bonded in a 3-coordinate geometry to three equivalent Ce and three equivalent Pd atoms.