Materials Data on La4Co2Sn5 by Materials Project

Abstract

La4Co2Sn5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to two equivalent Co and eight Sn atoms. Both La–Co bond lengths are 3.33 Å. There are a spread of La–Sn bond distances ranging from 3.26–3.72 Å. In the second La site, La is bonded in a 9-coordinate geometry to two equivalent Co and seven Sn atoms. Both La–Co bond lengths are 3.21 Å. There are a spread of La–Sn bond distances ranging from 3.27–3.63 Å. Co is bonded in a 9-coordinate geometry to four La and five Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.60–2.73 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to five La, three equivalent Co, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.31 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to seven La, one Co, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to six La, two equivalent Co, and four equivalent Sn atoms.