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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NiRh by Materials Project

NiRh crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Rh and six Ni atoms to form distorted RhNi6Rh6 cuboctahedra that share corners with twelve RhNi6Rh6 cuboctahedra, edges with twelve RhNi6Rh6 cuboctahedra, edges with twelve NiNi6Rh6 cuboctahedra, faces with six equivalent RhNi6Rh6 cuboctahedra, and faces with twelve NiNi6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.65 Å. All Rh–Ni bond lengths are 2.59 Å. In the second Rh site, Rh is bonded to ten equivalent Rh and six Ni atoms to form distorted RhNi6Rh10 cuboctahedra that share corners with ten NiNi6Rh6 cuboctahedra, corners with twelve RhNi6Rh6 cuboctahedra, edges with eight NiNi6Rh6 cuboctahedra, edges with sixteen RhNi6Rh6 cuboctahedra, faces with sixteen equivalent RhNi6Rh10 cuboctahedra, and faces with eighteen NiNi6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.65–5.31 Å. All Rh–Ni bond lengths are 2.59 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Rh and six equivalent Ni atoms to form distorted NiNi6Rh6 cuboctahedra that share corners with twelve NiNi6Rh6 cuboctahedra, edges with twelve equivalent RhNi6Rh6 cuboctahedra, edges with twelve NiNi6Rh6 cuboctahedra, faces with six equivalent NiNi6Rh6 cuboctahedra, and faces with twelve equivalent RhNi6Rh6 cuboctahedra. All Ni–Ni bond lengths are 2.65 Å. In the second Ni site, Ni is bonded to six Rh and six equivalent Ni atoms to form distorted NiNi6Rh6 cuboctahedra that share corners with five equivalent RhNi6Rh10 cuboctahedra, corners with twelve NiNi6Rh6 cuboctahedra, edges with ten RhNi6Rh6 cuboctahedra, edges with twelve NiNi6Rh6 cuboctahedra, faces with six equivalent NiNi6Rh6 cuboctahedra, and faces with fifteen RhNi6Rh6 cuboctahedra. All Ni–Rh bond lengths are 2.59 Å. All Ni–Ni bond lengths are 2.65 Å. In the third Ni site, Ni is bonded to six Rh and six equivalent Ni atoms to form distorted NiNi6Rh6 cuboctahedra that share corners with five equivalent RhNi6Rh10 cuboctahedra, corners with twelve NiNi6Rh6 cuboctahedra, edges with ten RhNi6Rh6 cuboctahedra, edges with twelve NiNi6Rh6 cuboctahedra, faces with six equivalent NiNi6Rh6 cuboctahedra, and faces with fifteen RhNi6Rh6 cuboctahedra. All Ni–Ni bond lengths are 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni3Rh by Materials Project

RhNi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to twelve Ni atoms to form RhNi12 cuboctahedra that share corners with six equivalent RhNi12 cuboctahedra, corners with twelve NiNi8Rh4 cuboctahedra, edges with eighteen NiNi8Rh4 cuboctahedra, faces with eight equivalent RhNi12 cuboctahedra, and faces with twelve NiNi8Rh4 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.57 Å) Rh–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Rh and eight Ni atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent RhNi12 cuboctahedra, corners with fourteen equivalent NiNi8Rh4 cuboctahedra, edges with six equivalent RhNi12 cuboctahedra, edges with twelve NiNi8Rh4 cuboctahedra, faces with four equivalent RhNi12 cuboctahedra, and faces with sixteen NiNi8Rh4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.51–2.62 Å. In the second Ni site, Ni is bonded to four equivalent Rh and eight equivalent Ni atoms to form distorted NiNi8Rh4 cuboctahedra that share corners with four equivalent RhNi12 cuboctahedra, corners with fourteen NiNi8Rh4 cuboctahedra, edges with six equivalent RhNi12 cuboctahedra, edges with twelve equivalent NiNi8Rh4 cuboctahedra, faces with four equivalent RhNi12 cuboctahedra, and faces with sixteen NiNi8Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗