Materials Data on Si13Rh20 by Materials Project

Abstract

Rh20Si13 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to six equivalent Si atoms. All Rh–Si bond lengths are 2.55 Å. In the second Rh site, Rh is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing RhSi4 tetrahedra. There are a spread of Rh–Si bond distances ranging from 2.41–2.48 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.53 Å. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.52 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to seven Rh atoms. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Rh atoms.