Materials Data on Rb12Sn2As6O by Materials Project

Rb12Sn2As6O crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to two equivalent Rb1+, four equivalent As3-, and one O2- atom. Both Rb–Rb bond lengths are 3.92 Å. There are a spread of Rb–As bond distances ranging from 3.53–3.77 Å. The Rb–O bond length is 2.78 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to four Rb1+ and six equivalent As3- atoms. There are one shorter (3.54 Å) and one longer (3.56 Å) Rb–Rb bond lengths. There are a spread of Rb–As bond distances ranging from 3.79–4.01 Å. Sn4+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.57 Å. As3- is bonded in a 1-coordinate geometry to ten Rb1+ and one Sn4+ atom. O2- is bonded in an octahedral geometry to six equivalent Rb1+ atoms.