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Materials Data on Rh3W by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Rh3W by Materials Project

Rh3W crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. W is bonded to six equivalent W and six equivalent Rh atoms to form WRh6W6 cuboctahedra that share corners with six equivalent WRh6W6 cuboctahedra, corners with twelve equivalent RhRh12 cuboctahedra, edges with six equivalent WRh6W6 cuboctahedra, edges with twelve equivalent RhRh9W3 cuboctahedra, faces with six equivalent WRh6W6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All W–W bond lengths are 2.78 Å. All W–Rh bond lengths are 2.69 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to twelve Rh atoms to form RhRh12 cuboctahedra that share corners with six equivalent RhRh12 cuboctahedra, corners with twelve equivalent WRh6W6 cuboctahedra, edges with eighteen RhRh12 cuboctahedra, faces with two equivalent WRh6W6 cuboctahedra, and faces with eighteen RhRh12 cuboctahedra. There are six shorter (2.77 Å) and six longer (2.78 Å) Rh–Rh bond lengths. In the second Rh site, Rh is bonded to three equivalent W and nine Rh atoms to form RhRh9W3 cuboctahedra that share corners with eighteen equivalent RhRh9W3 cuboctahedra, edges with six equivalent WRh6W6 cuboctahedra, edges with twelve RhRh12 cuboctahedra, faces with six equivalent WRh6W6 cuboctahedra, and faces with fourteen RhRh12 cuboctahedra. All Rh–Rh bond lengths are 2.78 Å.

36 MATERIALS SCIENCE↗