Ni3Cr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cr(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(2) atoms to form CrNi12 cuboctahedra that share corners with four equivalent Cr(1)Ni12 cuboctahedra, corners with eight equivalent Ni(1)Cr4Ni8 cuboctahedra, edges with eight equivalent Cr(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(2)Cr4Ni8 cuboctahedra, faces with four equivalent Cr(1)Ni12 cuboctahedra, faces with six equivalent Ni(1)Cr4Ni8 cuboctahedra, and faces with eight equivalent Ni(2)Cr4Ni8 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Cr(1) and eight equivalent Ni(2) atoms to form NiCr4Ni8 cuboctahedra that share corners with four equivalent Ni(1)Cr4Ni8 cuboctahedra, corners with eight equivalent Cr(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Cr4Ni8 cuboctahedra, edges with sixteen equivalent Ni(2)Cr4Ni8 cuboctahedra, faces with four equivalent Ni(1)Cr4Ni8 cuboctahedra, faces with six equivalent Cr(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(2)Cr4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Cr(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form NiCr4Ni8 cuboctahedra that share corners with twelve equivalent Ni(2)Cr4Ni8 cuboctahedra, edges with eight equivalent Cr(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Cr4Ni8 cuboctahedra, edges with eight equivalent Ni(2)Cr4Ni8 cuboctahedra, faces with four equivalent Cr(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Cr4Ni8 cuboctahedra, and faces with ten equivalent Ni(2)Cr4Ni8 cuboctahedra.
Ni3Cr is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cr(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(2) atoms to form CrNi12 cuboctahedra that share corners with four equivalent Cr(1)Ni12 cuboctahedra, corners with eight equivalent Ni(1)Cr4Ni8 cuboctahedra, edges with eight equivalent Cr(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(2)Cr4Ni8 cuboctahedra, faces with four equivalent Cr(1)Ni12 cuboctahedra, faces with six equivalent Ni(1)Cr4Ni8 cuboctahedra, and faces with eight equivalent Ni(2)Cr4Ni8 cuboctahedra. All Cr(1)-Ni(1) bond lengths are 2.47 Å. All Cr(1)-Ni(2) bond lengths are 2.49 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Cr(1) and eight equivalent Ni(2) atoms to form NiCr4Ni8 cuboctahedra that share corners with four equivalent Ni(1)Cr4Ni8 cuboctahedra, corners with eight equivalent Cr(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Cr4Ni8 cuboctahedra, edges with sixteen equivalent Ni(2)Cr4Ni8 cuboctahedra, faces with four equivalent Ni(1)Cr4Ni8 cuboctahedra, faces with six equivalent Cr(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(2)Cr4Ni8 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.49 Å. In the second Ni site, Ni(2) is bonded to four equivalent Cr(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form NiCr4Ni8 cuboctahedra that share corners with twelve equivalent Ni(2)Cr4Ni8 cuboctahedra, edges with eight equivalent Cr(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Cr4Ni8 cuboctahedra, edges with eight equivalent Ni(2)Cr4Ni8 cuboctahedra, faces with four equivalent Cr(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Cr4Ni8 cuboctahedra, and faces with ten equivalent Ni(2)Cr4Ni8 cuboctahedra. All Ni(2)-Ni(2) bond lengths are 2.47 Å.