Materials Data on Sn9Au4 by Materials Project
Au4Sn9 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Au sites. In the first Au site, Au is bonded in a 3-coordinate geometry to three Au and eight Sn atoms. There are one shorter (3.16 Å) and two longer (3.35 Å) Au–Au bond lengths. There are a spread of Au–Sn bond distances ranging from 2.90–3.35 Å. In the second Au site, Au is bonded in a 5-coordinate geometry to one Au and six Sn atoms. The Au–Au bond length is 3.26 Å. There are a spread of Au–Sn bond distances ranging from 2.96–3.43 Å. In the third Au site, Au is bonded in a 2-coordinate geometry to three Au and ten Sn atoms. There are one shorter (3.30 Å) and one longer (3.36 Å) Au–Au bond lengths. There are a spread of Au–Sn bond distances ranging from 2.92–3.50 Å. In the fourth Au site, Au is bonded in a 9-coordinate geometry to one Au and nine Sn atoms. There are a spread of Au–Sn bond distances ranging from 3.01–3.29 Å. In the fifth Au site, Au is bonded in a 12-coordinate geometry to one Au and eleven Sn atoms. There are a spread of Au–Sn bond distances ranging from 3.02–3.44 Å. In the sixth Au site, Au is bonded in a 12-coordinate geometry to two Au and ten Sn atoms. There are a spread of Au–Sn bond distances ranging from 3.05–3.40 Å. There are eleven inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Au and one Sn atom. The Sn–Sn bond length is 3.19 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Au and six Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.14–3.32 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to five Au and one Sn atom. In the fourth Sn site, Sn is bonded in a 1-coordinate geometry to four Au and four Sn atoms. There are two shorter (3.23 Å) and two longer (3.27 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 3-coordinate geometry to three Au and one Sn atom. The Sn–Sn bond length is 3.17 Å. In the sixth Sn site, Sn is bonded in a 1-coordinate geometry to four Au and five Sn atoms. Both Sn–Sn bond lengths are 3.20 Å. In the seventh Sn site, Sn is bonded in a 2-coordinate geometry to four Au and six Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.17–3.26 Å. In the eighth Sn site, Sn is bonded in a 1-coordinate geometry to four Au and one Sn atom. In the ninth Sn site, Sn is bonded in a 2-coordinate geometry to three Au and two Sn atoms. In the tenth Sn site, Sn is bonded in a 10-coordinate geometry to four Au and two Sn atoms. In the eleventh Sn site, Sn is bonded in a distorted single-bond geometry to three Au and one Sn atom.