TaNi6Ga is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. Ta(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(3) atoms to form TaNi12 cuboctahedra that share corners with four equivalent Ta(1)Ni12 cuboctahedra, corners with eight equivalent Ga(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ga(1)Ni12 cuboctahedra, faces with four equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ta4Ni8 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight equivalent Ni(3) and four equivalent Ga(1) atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(1)Ga4Ni8 cuboctahedra, corners with eight equivalent Ni(2)Ta4Ni8 cuboctahedra, edges with eight equivalent Ta(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ni(2)Ta4Ni8 cuboctahedra, faces with four equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Ta(1) and eight equivalent Ni(3) atoms to form distorted NiTa4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Ta4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ta4Ni8 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Ta(1), two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and two equivalent Ga(1) atoms to form distorted NiTa2Ga2Ni8 cuboctahedra that share corners with twelve equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, edges with four equivalent Ta(1)Ni12 cuboctahedra, edges with four equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with four equivalent Ni(2)Ta4Ni8 cuboctahedra, edges with four equivalent Ga(1)Ni12 cuboctahedra, edges with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(2)Ta4Ni8 cuboctahedra, faces with two equivalent Ga(1)Ni12 cuboctahedra, and faces with ten equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra. Ga(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(3) atoms to form GaNi12 cuboctahedra that share corners with four equivalent Ga(1)Ni12 cuboctahedra, corners with eight equivalent Ta(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Ta4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra.
TaNi6Ga is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. Ta(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(3) atoms to form TaNi12 cuboctahedra that share corners with four equivalent Ta(1)Ni12 cuboctahedra, corners with eight equivalent Ga(1)Ni12 cuboctahedra, edges with eight equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ga(1)Ni12 cuboctahedra, faces with four equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ta4Ni8 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra. All Ta(1)-Ni(2) bond lengths are 2.54 Å. All Ta(1)-Ni(3) bond lengths are 2.55 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to eight equivalent Ni(3) and four equivalent Ga(1) atoms to form NiGa4Ni8 cuboctahedra that share corners with four equivalent Ni(1)Ga4Ni8 cuboctahedra, corners with eight equivalent Ni(2)Ta4Ni8 cuboctahedra, edges with eight equivalent Ta(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ni(2)Ta4Ni8 cuboctahedra, faces with four equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra. All Ni(1)-Ni(3) bond lengths are 2.52 Å. All Ni(1)-Ga(1) bond lengths are 2.54 Å. In the second Ni site, Ni(2) is bonded to four equivalent Ta(1) and eight equivalent Ni(3) atoms to form distorted NiTa4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Ta4Ni8 cuboctahedra, corners with eight equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with eight equivalent Ga(1)Ni12 cuboctahedra, edges with sixteen equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ta4Ni8 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra. All Ni(2)-Ni(3) bond lengths are 2.55 Å. In the third Ni site, Ni(3) is bonded to two equivalent Ta(1), two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and two equivalent Ga(1) atoms to form distorted NiTa2Ga2Ni8 cuboctahedra that share corners with twelve equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, edges with four equivalent Ta(1)Ni12 cuboctahedra, edges with four equivalent Ni(1)Ga4Ni8 cuboctahedra, edges with four equivalent Ni(2)Ta4Ni8 cuboctahedra, edges with four equivalent Ga(1)Ni12 cuboctahedra, edges with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with two equivalent Ni(2)Ta4Ni8 cuboctahedra, faces with two equivalent Ga(1)Ni12 cuboctahedra, and faces with ten equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra. All Ni(3)-Ni(3) bond lengths are 2.54 Å. Both Ni(3)-Ga(1) bond lengths are 2.52 Å. Ga(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(3) atoms to form GaNi12 cuboctahedra that share corners with four equivalent Ga(1)Ni12 cuboctahedra, corners with eight equivalent Ta(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Ta4Ni8 cuboctahedra, edges with sixteen equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Ga4Ni8 cuboctahedra, faces with four equivalent Ga(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ga2Ni8 cuboctahedra.