Materials Data on Rb5Au3O2 by Materials Project
Rb5Au3O2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted linear geometry to four equivalent Au+0.33- and two equivalent O2- atoms. There are a spread of Rb–Au bond distances ranging from 3.64–3.99 Å. Both Rb–O bond lengths are 2.90 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted linear geometry to four equivalent Au+0.33- and two equivalent O2- atoms. All Rb–Au bond lengths are 3.75 Å. Both Rb–O bond lengths are 2.93 Å. In the third Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four equivalent Au+0.33- and two equivalent O2- atoms. There are two shorter (3.66 Å) and two longer (3.92 Å) Rb–Au bond lengths. There are one shorter (2.78 Å) and one longer (2.85 Å) Rb–O bond lengths. There are two inequivalent Au+0.33- sites. In the first Au+0.33- site, Au+0.33- is bonded in a 10-coordinate geometry to ten Rb1+ atoms. In the second Au+0.33- site, Au+0.33- is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. O2- is bonded to five Rb1+ and one Au+0.33- atom to form corner-sharing ORb5Au octahedra. The corner-sharing octahedra tilt angles range from 0–14°.