Materials Data on Rb12Sn2Sb6O by Materials Project

Abstract

Rb12Sn2Sb6O 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 8-coordinate geometry to two equivalent Rb1+ and six equivalent Sb3- atoms. There are one shorter (3.74 Å) and one longer (3.76 Å) Rb–Rb bond lengths. There are a spread of Rb–Sb bond distances ranging from 4.03–4.18 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to four equivalent Sb3- and one O2- atom. There are one shorter (3.69 Å) and three longer (3.91 Å) Rb–Sb bond lengths. The Rb–O bond length is 2.82 Å. Sn4+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Sn–Sb bond lengths are 2.75 Å. Sb3- is bonded in a 11-coordinate geometry to ten Rb1+ and one Sn4+ atom. O2- is bonded in an octahedral geometry to six equivalent Rb1+ atoms.