Materials Data on Rh2W2C by Materials Project

Abstract

W2Rh2C is H-Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. W is bonded to nine equivalent W and three equivalent Rh atoms to form WRh3W9 cuboctahedra that share corners with six equivalent WRh3W9 cuboctahedra, corners with six equivalent CRh6 octahedra, edges with twelve equivalent WRh3W9 cuboctahedra, faces with twelve equivalent WRh3W9 cuboctahedra, and a faceface with one CRh6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are six shorter (2.85 Å) and three longer (2.94 Å) W–W bond lengths. All W–Rh bond lengths are 2.81 Å. Rh is bonded in a 3-coordinate geometry to three equivalent W and three equivalent C atoms. All Rh–C bond lengths are 2.09 Å. C is bonded to six equivalent Rh atoms to form CRh6 octahedra that share corners with twelve equivalent WRh3W9 cuboctahedra, edges with six equivalent CRh6 octahedra, and faces with two equivalent WRh3W9 cuboctahedra.