Materials Data on Rb3Ge4Au by Materials Project

Rb3AuGe4 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 to two equivalent Au and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing RbGe4Au2 octahedra. The corner-sharing octahedral tilt angles are 24°. Both Rb–Au bond lengths are 3.58 Å. There are two shorter (3.68 Å) and two longer (3.85 Å) Rb–Ge bond lengths. In the second Rb site, Rb is bonded in a 5-coordinate geometry to one Au and four Ge atoms. The Rb–Au bond length is 3.47 Å. There are a spread of Rb–Ge bond distances ranging from 3.67–3.73 Å. Au is bonded in a 8-coordinate geometry to four Rb and four Ge atoms. There are two shorter (2.66 Å) and two longer (2.67 Å) Au–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Rb and one Au atom. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four Rb and one Au atom.