Ni3Cr crystallizes in the trigonal R-3m space group. Cr(1) is bonded to six equivalent Cr(1) and six equivalent Ni(1) atoms to form CrCr6Ni6 cuboctahedra that share corners with six equivalent Cr(1)Cr6Ni6 cuboctahedra, corners with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent Cr(1)Cr6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra, faces with six equivalent Cr(1)Cr6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Cr(1), three equivalent Ni(2), and six equivalent Ni(1) atoms to form NiCr3Ni9 cuboctahedra that share corners with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra, edges with six equivalent Cr(1)Cr6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra, faces with six equivalent Cr(1)Cr6Ni6 cuboctahedra, faces with six equivalent Ni(1)Cr3Ni9 cuboctahedra, and faces with six equivalent Ni(2)Ni12 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Ni(1) and six equivalent Ni(2) atoms to form NiNi12 cuboctahedra that share corners with six equivalent Cr(1)Cr6Ni6 cuboctahedra, corners with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent Cr(1)Cr6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra.
Ni3Cr crystallizes in the trigonal R-3m space group. Cr(1) is bonded to six equivalent Cr(1) and six equivalent Ni(1) atoms to form CrCr6Ni6 cuboctahedra that share corners with six equivalent Cr(1)Cr6Ni6 cuboctahedra, corners with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent Cr(1)Cr6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra, faces with six equivalent Cr(1)Cr6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra. All Cr(1)-Cr(1) bond lengths are 2.50 Å. All Cr(1)-Ni(1) bond lengths are 2.49 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Cr(1), three equivalent Ni(2), and six equivalent Ni(1) atoms to form NiCr3Ni9 cuboctahedra that share corners with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra, edges with six equivalent Cr(1)Cr6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra, faces with six equivalent Cr(1)Cr6Ni6 cuboctahedra, faces with six equivalent Ni(1)Cr3Ni9 cuboctahedra, and faces with six equivalent Ni(2)Ni12 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.52 Å. All Ni(1)-Ni(1) bond lengths are 2.50 Å. In the second Ni site, Ni(2) is bonded to six equivalent Ni(1) and six equivalent Ni(2) atoms to form NiNi12 cuboctahedra that share corners with six equivalent Cr(1)Cr6Ni6 cuboctahedra, corners with six equivalent Ni(2)Ni12 cuboctahedra, edges with six equivalent Cr(1)Cr6Ni6 cuboctahedra, edges with six equivalent Ni(2)Ni12 cuboctahedra, edges with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra, faces with six equivalent Ni(2)Ni12 cuboctahedra, and faces with twelve equivalent Ni(1)Cr3Ni9 cuboctahedra. All Ni(2)-Ni(2) bond lengths are 2.50 Å.