Ni6AlGe is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight equivalent Ni(3) and four equivalent Al(1) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(1)Al4Ni8 cuboctahedra, corners with eight equivalent Ni(2)Ni8Ge4 cuboctahedra, edges with eight equivalent Ge(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Ni(2)Ni8Ge4 cuboctahedra, faces with four equivalent Ni(1)Al4Ni8 cuboctahedra, faces with four equivalent Al(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra. In the second Ni site, Ni(2) is bonded to eight equivalent Ni(3) and four equivalent Ge(1) atoms to form NiNi8Ge4 cuboctahedra that share corners with four equivalent Ni(2)Ni8Ge4 cuboctahedra, corners with eight equivalent Ni(1)Al4Ni8 cuboctahedra, edges with eight equivalent Al(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Ni(1)Al4Ni8 cuboctahedra, faces with four equivalent Ni(2)Ni8Ge4 cuboctahedra, faces with four equivalent Ge(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), two equivalent Al(1), and two equivalent Ge(1) atoms to form NiAl2Ni8Ge2 cuboctahedra that share corners with twelve equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, edges with four equivalent Ni(1)Al4Ni8 cuboctahedra, edges with four equivalent Ni(2)Ni8Ge4 cuboctahedra, edges with four equivalent Al(1)Ni12 cuboctahedra, edges with four equivalent Ge(1)Ni12 cuboctahedra, edges with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Ni(1)Al4Ni8 cuboctahedra, faces with two equivalent Ni(2)Ni8Ge4 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, faces with two equivalent Ge(1)Ni12 cuboctahedra, and faces with ten equivalent Ni(3)Al2Ni8Ge2 cuboctahedra. Al(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(3) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Al(1)Ni12 cuboctahedra, corners with eight equivalent Ge(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Ni8Ge4 cuboctahedra, edges with sixteen equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Ge(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Al4Ni8 cuboctahedra, faces with four equivalent Al(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra. Ge(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(3) atoms to form GeNi12 cuboctahedra that share corners with four equivalent Ge(1)Ni12 cuboctahedra, corners with eight equivalent Al(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Al4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ni8Ge4 cuboctahedra, faces with four equivalent Ge(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra.
Ni6AlGe is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight equivalent Ni(3) and four equivalent Al(1) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(1)Al4Ni8 cuboctahedra, corners with eight equivalent Ni(2)Ni8Ge4 cuboctahedra, edges with eight equivalent Ge(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Ni(2)Ni8Ge4 cuboctahedra, faces with four equivalent Ni(1)Al4Ni8 cuboctahedra, faces with four equivalent Al(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra. All Ni(1)-Ni(3) bond lengths are 2.50 Å. All Ni(1)-Al(1) bond lengths are 2.49 Å. In the second Ni site, Ni(2) is bonded to eight equivalent Ni(3) and four equivalent Ge(1) atoms to form NiNi8Ge4 cuboctahedra that share corners with four equivalent Ni(2)Ni8Ge4 cuboctahedra, corners with eight equivalent Ni(1)Al4Ni8 cuboctahedra, edges with eight equivalent Al(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Ni(1)Al4Ni8 cuboctahedra, faces with four equivalent Ni(2)Ni8Ge4 cuboctahedra, faces with four equivalent Ge(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra. All Ni(2)-Ni(3) bond lengths are 2.49 Å. All Ni(2)-Ge(1) bond lengths are 2.49 Å. In the third Ni site, Ni(3) is bonded to two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), two equivalent Al(1), and two equivalent Ge(1) atoms to form NiAl2Ni8Ge2 cuboctahedra that share corners with twelve equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, edges with four equivalent Ni(1)Al4Ni8 cuboctahedra, edges with four equivalent Ni(2)Ni8Ge4 cuboctahedra, edges with four equivalent Al(1)Ni12 cuboctahedra, edges with four equivalent Ge(1)Ni12 cuboctahedra, edges with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Ni(1)Al4Ni8 cuboctahedra, faces with two equivalent Ni(2)Ni8Ge4 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, faces with two equivalent Ge(1)Ni12 cuboctahedra, and faces with ten equivalent Ni(3)Al2Ni8Ge2 cuboctahedra. All Ni(3)-Ni(3) bond lengths are 2.49 Å. Both Ni(3)-Al(1) bond lengths are 2.50 Å. Both Ni(3)-Ge(1) bond lengths are 2.49 Å. Al(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(3) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Al(1)Ni12 cuboctahedra, corners with eight equivalent Ge(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Ni8Ge4 cuboctahedra, edges with sixteen equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Ge(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Al4Ni8 cuboctahedra, faces with four equivalent Al(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra. Ge(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(3) atoms to form GeNi12 cuboctahedra that share corners with four equivalent Ge(1)Ni12 cuboctahedra, corners with eight equivalent Al(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Al4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)Al2Ni8Ge2 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ni8Ge4 cuboctahedra, faces with four equivalent Ge(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Al2Ni8Ge2 cuboctahedra.