Nb3Cr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted square co-planar geometry to eight equivalent Nb(2) and four equivalent Cr(1) atoms. In the second Nb site, Nb(2) is bonded to four equivalent Nb(1), four equivalent Nb(2), and four equivalent Cr(1) atoms to form NbNb8Cr4 cuboctahedra that share corners with twelve equivalent Nb(2)Nb8Cr4 cuboctahedra, edges with eight equivalent Nb(2)Nb8Cr4 cuboctahedra, edges with eight equivalent Cr(1)Nb12 cuboctahedra, faces with four equivalent Cr(1)Nb12 cuboctahedra, and faces with ten equivalent Nb(2)Nb8Cr4 cuboctahedra. Cr(1) is bonded to four equivalent Nb(1) and eight equivalent Nb(2) atoms to form CrNb12 cuboctahedra that share corners with four equivalent Cr(1)Nb12 cuboctahedra, edges with eight equivalent Cr(1)Nb12 cuboctahedra, edges with sixteen equivalent Nb(2)Nb8Cr4 cuboctahedra, faces with four equivalent Cr(1)Nb12 cuboctahedra, and faces with eight equivalent Nb(2)Nb8Cr4 cuboctahedra.
Nb3Cr is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted square co-planar geometry to eight equivalent Nb(2) and four equivalent Cr(1) atoms. All Nb(1)-Nb(2) bond lengths are 3.05 Å. All Nb(1)-Cr(1) bond lengths are 2.68 Å. In the second Nb site, Nb(2) is bonded to four equivalent Nb(1), four equivalent Nb(2), and four equivalent Cr(1) atoms to form NbNb8Cr4 cuboctahedra that share corners with twelve equivalent Nb(2)Nb8Cr4 cuboctahedra, edges with eight equivalent Nb(2)Nb8Cr4 cuboctahedra, edges with eight equivalent Cr(1)Nb12 cuboctahedra, faces with four equivalent Cr(1)Nb12 cuboctahedra, and faces with ten equivalent Nb(2)Nb8Cr4 cuboctahedra. All Nb(2)-Nb(2) bond lengths are 2.68 Å. All Nb(2)-Cr(1) bond lengths are 3.05 Å. Cr(1) is bonded to four equivalent Nb(1) and eight equivalent Nb(2) atoms to form CrNb12 cuboctahedra that share corners with four equivalent Cr(1)Nb12 cuboctahedra, edges with eight equivalent Cr(1)Nb12 cuboctahedra, edges with sixteen equivalent Nb(2)Nb8Cr4 cuboctahedra, faces with four equivalent Cr(1)Nb12 cuboctahedra, and faces with eight equivalent Nb(2)Nb8Cr4 cuboctahedra.