Materials Data on Ce5Al2Ru3 by Materials Project

Abstract

Ce5Ru3Al2 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to four Ru and four Al atoms. There are a spread of Ce–Ru bond distances ranging from 2.63–3.37 Å. There are a spread of Ce–Al bond distances ranging from 3.19–3.26 Å. In the second Ce site, Ce is bonded to three Ru and one Al atom to form distorted corner-sharing CeAlRu3 tetrahedra. There are a spread of Ce–Ru bond distances ranging from 2.80–2.90 Å. The Ce–Al bond length is 3.22 Å. In the third Ce site, Ce is bonded in a 2-coordinate geometry to four Ru and four Al atoms. There are a spread of Ce–Ru bond distances ranging from 2.84–3.25 Å. There are a spread of Ce–Al bond distances ranging from 3.20–3.27 Å. In the fourth Ce site, Ce is bonded to three equivalent Ru and one Al atom to form distorted corner-sharing CeAlRu3 tetrahedra. All Ce–Ru bond lengths are 2.76 Å. The Ce–Al bond length is 3.19 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 8-coordinate geometry to six Ce and two Al atoms. There are one shorter (2.61 Å) and one longer (2.63 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a 8-coordinate geometry to six Ce and two equivalent Al atoms. There are one shorter (2.61 Å) and one longer (2.63 Å) Ru–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to seven Ce and three equivalent Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to seven Ce and three Ru atoms.