Materials Data on Rb3Sn4Au by Materials Project

Rb3AuSn4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Au and four equivalent Sn atoms. Both Rb–Au bond lengths are 3.69 Å. There are two shorter (3.82 Å) and two longer (4.00 Å) Rb–Sn bond lengths. In the second Rb site, Rb is bonded in a 1-coordinate geometry to one Au and eight Sn atoms. The Rb–Au bond length is 3.57 Å. There are a spread of Rb–Sn bond distances ranging from 3.85–4.11 Å. Au is bonded in a 8-coordinate geometry to four Rb and four Sn atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Au–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Rb and one Au atom. In the second Sn site, Sn is bonded in a 1-coordinate geometry to six Rb and one Au atom.