Materials Data on Ce5Sn3 by Materials Project

Abstract

Ce5Sn3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.27–3.52 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.27–3.52 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.27–3.52 Å. In the fourth Ce site, Ce is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.28–3.52 Å. In the fifth Ce site, Ce is bonded in a 4-coordinate geometry to four Sn atoms. There are one shorter (3.20 Å) and three longer (3.21 Å) Ce–Sn bond lengths. In the sixth Ce site, Ce is bonded in a 4-coordinate geometry to four Sn atoms. There are one shorter (3.20 Å) and three longer (3.21 Å) Ce–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to ten Ce atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to ten Ce atoms. In the third Sn site, Sn is bonded in a 10-coordinate geometry to eight Ce and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.05 Å. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to ten Ce atoms.