Materials Data on Rb2Ge2Se5 by Materials Project

Abstract

Rb2Ge2Se5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.50–3.94 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.53–3.92 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.29–2.43 Å. In the second Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.29–2.43 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted water-like geometry to two Rb1+ and two Ge4+ atoms. In the second Se2- site, Se2- is bonded to three Rb1+ and two Ge4+ atoms to form distorted edge-sharing SeRb3Ge2 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to three Rb1+ and one Ge4+ atom. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to three Rb1+ and one Ge4+ atom. In the fifth Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Ge4+ atoms. In the sixth Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Ge4+ atoms.