Materials Data on Sc(P2Rh3)2 by Materials Project

Abstract

Sc(Rh3P2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Sc is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing ScP6Rh6 cuboctahedra. All Sc–Rh bond lengths are 2.98 Å. All Sc–P bond lengths are 2.92 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.42–2.59 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sc and four P atoms. There are a spread of Rh–P bond distances ranging from 2.28–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Sc and six Rh atoms.