Materials Data on Rb12Sn2Bi6O by Materials Project

Abstract

Rb12Sn2Bi6O crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to two equivalent Rb, two equivalent Sn, and six equivalent Bi atoms. There are one shorter (3.86 Å) and one longer (3.87 Å) Rb–Rb bond lengths. There are one shorter (4.15 Å) and one longer (4.17 Å) Rb–Sn bond lengths. There are a spread of Rb–Bi bond distances ranging from 4.19–4.26 Å. In the second Rb site, Rb is bonded in a distorted single-bond geometry to four equivalent Bi and one O atom. There are a spread of Rb–Bi bond distances ranging from 3.77–4.09 Å. The Rb–O bond length is 2.85 Å. Sn is bonded in a 3-coordinate geometry to six equivalent Rb and three equivalent Bi atoms. All Sn–Bi bond lengths are 2.86 Å. Bi is bonded in a 11-coordinate geometry to ten Rb and one Sn atom. O is bonded in an octahedral geometry to six equivalent Rb atoms.