Materials Data on Sr2CaSn5 by Materials Project

Abstract

Sr2CaSn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.41–3.68 Å. Ca is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Ca–Sn bond distances ranging from 3.28–3.72 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Sr, two equivalent Ca, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.06–3.37 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Sr, two equivalent Ca, and three Sn atoms. The Sn–Sn bond length is 3.06 Å. In the third Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Sr, one Ca, and four Sn atoms.