Materials Data on Rh3W by Materials Project

Abstract

Rh3W is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve equivalent Rh atoms to form WRh12 cuboctahedra that share corners with six equivalent WRh12 cuboctahedra, corners with twelve equivalent RhRh8W4 cuboctahedra, edges with eighteen equivalent RhRh8W4 cuboctahedra, faces with eight equivalent WRh12 cuboctahedra, and faces with twelve equivalent RhRh8W4 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) W–Rh bond lengths. Rh is bonded to four equivalent W and eight equivalent Rh atoms to form RhRh8W4 cuboctahedra that share corners with four equivalent WRh12 cuboctahedra, corners with fourteen equivalent RhRh8W4 cuboctahedra, edges with six equivalent WRh12 cuboctahedra, edges with twelve equivalent RhRh8W4 cuboctahedra, faces with four equivalent WRh12 cuboctahedra, and faces with sixteen equivalent RhRh8W4 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.72–2.77 Å.