Materials Data on Rb2Sn2Se5 by Materials Project

Abstract

Rb2Sn2Se5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.47–4.20 Å. Sn4+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing SnSe5 trigonal bipyramids. There are a spread of Sn–Se bond distances ranging from 2.57–2.86 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Sn4+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to four equivalent Rb1+ and two equivalent Sn4+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Sn4+ atoms.