Hf(Ni4Al)3 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(4) atoms to form HfNi12 cuboctahedra that share corners with four equivalent Hf(1)Ni12 cuboctahedra, corners with eight equivalent Al(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Al4Ni8 cuboctahedra, edges with sixteen equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, faces with four equivalent Hf(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to four equivalent Hf(1) and eight equivalent Ni(4) atoms. In the second Ni site, Ni(2) is bonded to four equivalent Ni(4), four equivalent Ni(5), and four equivalent Al(1) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Al4Ni8 cuboctahedra, corners with four equivalent Ni(3)Al4Ni8 cuboctahedra, edges with four equivalent Hf(1)Ni12 cuboctahedra, edges with four equivalent Al(2)Ni12 cuboctahedra, edges with eight equivalent Ni(5)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra,  a faceface with one Ni(3)Al4Ni8 cuboctahedra, faces with four equivalent Ni(2)Al4Ni8 cuboctahedra, faces with four equivalent Ni(5)Al4Ni8 cuboctahedra, faces with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, and faces with four equivalent Al(1)Ni12 cuboctahedra. In the third Ni site, Ni(3) is bonded to eight Ni(5,5) and four equivalent Al(2) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Al4Ni8 cuboctahedra; corners with eight equivalent Ni(2)Al4Ni8 cuboctahedra; edges with eight equivalent Al(1)Ni12 cuboctahedra; edges with sixteen Ni(5,5)Al4Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with four equivalent Ni(3)Al4Ni8 cuboctahedra; faces with four equivalent Al(2)Ni12 cuboctahedra; and faces with eight Ni(5,5)Al4Ni8 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent Hf(1), two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(4), and two equivalent Al(1) atoms to form distorted NiHf2Al2Ni8 cuboctahedra that share corners with four equivalent Ni(5)Al4Ni8 cuboctahedra, corners with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, edges with four equivalent Hf(1)Ni12 cuboctahedra, edges with four equivalent Ni(2)Al4Ni8 cuboctahedra, edges with four equivalent Ni(5)Al4Ni8 cuboctahedra, edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, edges with four equivalent Al(1)Ni12 cuboctahedra,  a faceface with one Ni(5)Al4Ni8 cuboctahedra, faces with two equivalent Hf(1)Ni12 cuboctahedra, faces with two equivalent Ni(2)Al4Ni8 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, and faces with nine equivalent Ni(4)Hf2Al2Ni8 cuboctahedra. In the fifth Ni site, Ni(5) is bonded to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(5), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; corners with eight Ni(5,5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(2)Al4Ni8 cuboctahedra; edges with four equivalent Ni(3)Al4Ni8 cuboctahedra; edges with four equivalent Ni(5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; edges with four equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Al(2)Ni12 cuboctahedra;  a faceface with one Ni(4)Hf2Al2Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with two equivalent Ni(3)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with two equivalent Al(2)Ni12 cuboctahedra; and faces with nine Ni(5,5)Al4Ni8 cuboctahedra. In the sixth Ni site, Ni(5) is bonded to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(5), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; corners with eight Ni(5,5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(2)Al4Ni8 cuboctahedra; edges with four equivalent Ni(3)Al4Ni8 cuboctahedra; edges with four equivalent Ni(5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; edges with four equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Al(2)Ni12 cuboctahedra;  a faceface with one Ni(4)Hf2Al2Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with two equivalent Ni(3)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with two equivalent Al(2)Ni12 cuboctahedra; and faces with nine Ni(5,5)Al4Ni8 cuboctahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Ni(2), four equivalent Ni(4), and four equivalent Ni(5) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Hf(1)Ni12 cuboctahedra, corners with four equivalent Al(1)Ni12 cuboctahedra, corners with four equivalent Al(2)Ni12 cuboctahedra, edges with four equivalent Ni(3)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(5)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra,  a faceface with one Hf(1)Ni12 cuboctahedra,  a faceface with one Al(2)Ni12 cuboctahedra, faces with four equivalent Ni(2)Al4Ni8 cuboctahedra, faces with four equivalent Ni(5)Al4Ni8 cuboctahedra, faces with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, and faces with four equivalent Al(1)Ni12 cuboctahedra. In the second Al site, Al(2) is bonded to four equivalent Ni(3) and eight Ni(5,5) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Al(2)Ni12 cuboctahedra; corners with eight equivalent Al(1)Ni12 cuboctahedra; edges with eight equivalent Ni(2)Al4Ni8 cuboctahedra; edges with sixteen Ni(5,5)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with four equivalent Ni(3)Al4Ni8 cuboctahedra; faces with four equivalent Al(2)Ni12 cuboctahedra; and faces with eight Ni(5,5)Al4Ni8 cuboctahedra.
Hf(Ni4Al)3 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to four equivalent Ni(1) and eight equivalent Ni(4) atoms to form HfNi12 cuboctahedra that share corners with four equivalent Hf(1)Ni12 cuboctahedra, corners with eight equivalent Al(1)Ni12 cuboctahedra, edges with eight equivalent Ni(2)Al4Ni8 cuboctahedra, edges with sixteen equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, faces with four equivalent Hf(1)Ni12 cuboctahedra, and faces with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra. All Hf(1)-Ni(1) bond lengths are 2.56 Å. All Hf(1)-Ni(4) bond lengths are 2.62 Å. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to four equivalent Hf(1) and eight equivalent Ni(4) atoms. All Ni(1)-Ni(4) bond lengths are 2.62 Å. In the second Ni site, Ni(2) is bonded to four equivalent Ni(4), four equivalent Ni(5), and four equivalent Al(1) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(2)Al4Ni8 cuboctahedra, corners with four equivalent Ni(3)Al4Ni8 cuboctahedra, edges with four equivalent Hf(1)Ni12 cuboctahedra, edges with four equivalent Al(2)Ni12 cuboctahedra, edges with eight equivalent Ni(5)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra,  a faceface with one Ni(3)Al4Ni8 cuboctahedra, faces with four equivalent Ni(2)Al4Ni8 cuboctahedra, faces with four equivalent Ni(5)Al4Ni8 cuboctahedra, faces with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, and faces with four equivalent Al(1)Ni12 cuboctahedra. All Ni(2)-Ni(4) bond lengths are 2.51 Å. All Ni(2)-Ni(5) bond lengths are 2.51 Å. All Ni(2)-Al(1) bond lengths are 2.56 Å. In the third Ni site, Ni(3) is bonded to eight Ni(5,5) and four equivalent Al(2) atoms to form NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Al4Ni8 cuboctahedra; corners with eight equivalent Ni(2)Al4Ni8 cuboctahedra; edges with eight equivalent Al(1)Ni12 cuboctahedra; edges with sixteen Ni(5,5)Al4Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with four equivalent Ni(3)Al4Ni8 cuboctahedra; faces with four equivalent Al(2)Ni12 cuboctahedra; and faces with eight Ni(5,5)Al4Ni8 cuboctahedra. All Ni(3)-Ni(5,5) bond lengths are 2.52 Å. All Ni(3)-Al(2) bond lengths are 2.56 Å. In the fourth Ni site, Ni(4) is bonded to two equivalent Hf(1), two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(4), and two equivalent Al(1) atoms to form distorted NiHf2Al2Ni8 cuboctahedra that share corners with four equivalent Ni(5)Al4Ni8 cuboctahedra, corners with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, edges with four equivalent Hf(1)Ni12 cuboctahedra, edges with four equivalent Ni(2)Al4Ni8 cuboctahedra, edges with four equivalent Ni(5)Al4Ni8 cuboctahedra, edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, edges with four equivalent Al(1)Ni12 cuboctahedra,  a faceface with one Ni(5)Al4Ni8 cuboctahedra, faces with two equivalent Hf(1)Ni12 cuboctahedra, faces with two equivalent Ni(2)Al4Ni8 cuboctahedra, faces with two equivalent Al(1)Ni12 cuboctahedra, and faces with nine equivalent Ni(4)Hf2Al2Ni8 cuboctahedra. All Ni(4)-Ni(4) bond lengths are 2.56 Å. Both Ni(4)-Al(1) bond lengths are 2.51 Å. In the fifth Ni site, Ni(5) is bonded to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(5), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; corners with eight Ni(5,5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(2)Al4Ni8 cuboctahedra; edges with four equivalent Ni(3)Al4Ni8 cuboctahedra; edges with four equivalent Ni(5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; edges with four equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Al(2)Ni12 cuboctahedra;  a faceface with one Ni(4)Hf2Al2Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with two equivalent Ni(3)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with two equivalent Al(2)Ni12 cuboctahedra; and faces with nine Ni(5,5)Al4Ni8 cuboctahedra. All Ni(5)-Ni(5) bond lengths are 2.56 Å. Both Ni(5)-Al(1) bond lengths are 2.51 Å. Both Ni(5)-Al(2) bond lengths are 2.52 Å. In the sixth Ni site, Ni(5) is bonded to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(5), two equivalent Al(1), and two equivalent Al(2) atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; corners with eight Ni(5,5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(2)Al4Ni8 cuboctahedra; edges with four equivalent Ni(3)Al4Ni8 cuboctahedra; edges with four equivalent Ni(5)Al4Ni8 cuboctahedra; edges with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra; edges with four equivalent Al(1)Ni12 cuboctahedra; edges with four equivalent Al(2)Ni12 cuboctahedra;  a faceface with one Ni(4)Hf2Al2Ni8 cuboctahedra; faces with two equivalent Ni(2)Al4Ni8 cuboctahedra; faces with two equivalent Ni(3)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with two equivalent Al(2)Ni12 cuboctahedra; and faces with nine Ni(5,5)Al4Ni8 cuboctahedra. Both Ni(5)-Ni(2) bond lengths are 2.51 Å. All Ni(5)-Ni(5) bond lengths are 2.56 Å. Both Ni(5)-Al(1) bond lengths are 2.51 Å. Both Ni(5)-Al(2) bond lengths are 2.52 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Ni(2), four equivalent Ni(4), and four equivalent Ni(5) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Hf(1)Ni12 cuboctahedra, corners with four equivalent Al(1)Ni12 cuboctahedra, corners with four equivalent Al(2)Ni12 cuboctahedra, edges with four equivalent Ni(3)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(5)Al4Ni8 cuboctahedra, edges with eight equivalent Ni(4)Hf2Al2Ni8 cuboctahedra,  a faceface with one Hf(1)Ni12 cuboctahedra,  a faceface with one Al(2)Ni12 cuboctahedra, faces with four equivalent Ni(2)Al4Ni8 cuboctahedra, faces with four equivalent Ni(5)Al4Ni8 cuboctahedra, faces with four equivalent Ni(4)Hf2Al2Ni8 cuboctahedra, and faces with four equivalent Al(1)Ni12 cuboctahedra. In the second Al site, Al(2) is bonded to four equivalent Ni(3) and eight Ni(5,5) atoms to form AlNi12 cuboctahedra that share corners with four equivalent Al(2)Ni12 cuboctahedra; corners with eight equivalent Al(1)Ni12 cuboctahedra; edges with eight equivalent Ni(2)Al4Ni8 cuboctahedra; edges with sixteen Ni(5,5)Al4Ni8 cuboctahedra; faces with two equivalent Al(1)Ni12 cuboctahedra; faces with four equivalent Ni(3)Al4Ni8 cuboctahedra; faces with four equivalent Al(2)Ni12 cuboctahedra; and faces with eight Ni(5,5)Al4Ni8 cuboctahedra.