Materials Data on Sr3Sn3Au8 by Materials Project

Abstract

Sr3Au8Sn3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to eleven Au and five Sn atoms. There are a spread of Sr–Au bond distances ranging from 3.24–3.87 Å. There are a spread of Sr–Sn bond distances ranging from 3.48–3.79 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to twelve Au and four equivalent Sn atoms. There are a spread of Sr–Au bond distances ranging from 3.25–3.80 Å. All Sr–Sn bond lengths are 3.74 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 10-coordinate geometry to four Sr, five Au, and one Sn atom. There are a spread of Au–Au bond distances ranging from 2.83–3.20 Å. The Au–Sn bond length is 2.90 Å. In the second Au site, Au is bonded in a 4-coordinate geometry to four Sr, two equivalent Au, and four Sn atoms. Both Au–Au bond lengths are 3.06 Å. There are a spread of Au–Sn bond distances ranging from 2.79–2.87 Å. In the third Au site, Au is bonded in a 12-coordinate geometry to four Sr, five Au, and three Sn atoms. The Au–Au bond length is 2.90 Å. There are one shorter (2.82 Å) and two longer (3.10 Å) Au–Sn bond lengths. In the fourth Au site, Au is bonded in a 1-coordinate geometry to five Sr, four Au, and one Sn atom. The Au–Sn bond length is 2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Sr and eight Au atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to five Sr and five Au atoms.