Materials Data on Rb7Au5O2 by Materials Project
Rb7Au5O2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to six Au+0.60- and one O2- atom. There are a spread of Rb–Au bond distances ranging from 3.56–3.93 Å. The Rb–O bond length is 2.82 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted linear geometry to four Au+0.60- and two equivalent O2- atoms. There are two shorter (3.76 Å) and two longer (3.84 Å) Rb–Au bond lengths. Both Rb–O bond lengths are 2.91 Å. In the third Rb1+ site, Rb1+ is bonded in a linear geometry to four equivalent Au+0.60- and two equivalent O2- atoms. All Rb–Au bond lengths are 3.88 Å. Both Rb–O bond lengths are 2.70 Å. There are three inequivalent Au+0.60- sites. In the first Au+0.60- site, Au+0.60- is bonded in a distorted q6 geometry to ten Rb1+ atoms. In the second Au+0.60- site, Au+0.60- is bonded in a distorted body-centered cubic geometry to eight Rb1+ atoms. In the third Au+0.60- site, Au+0.60- is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. O2- is bonded to five Rb1+ and one Au+0.60- atom to form corner-sharing ORb5Au octahedra. The corner-sharing octahedra tilt angles range from 0–2°.