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NiCr is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Cr–Ni bond lengths are 2.51 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Cr atoms.
Ni2Cr is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr is bonded in a 12-coordinate geometry to four equivalent Cr and twelve equivalent Ni atoms. All Cr–Cr bond lengths are 2.87 Å. All Cr–Ni bond lengths are 2.75 Å. Ni is bonded to six equivalent Cr and six equivalent Ni atoms to form a mixture of face, edge, and corner-sharing NiCr6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.34 Å.