NiAuSn2 is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. Ni(1) is bonded to six equivalent Sn(1) atoms to form distorted NiSn6 pentagonal pyramids that share corners with six equivalent Au(1)Sn6 pentagonal pyramids, edges with six equivalent Ni(1)Sn6 pentagonal pyramids, and edges with six equivalent Au(1)Sn6 pentagonal pyramids. Au(1) is bonded to six equivalent Sn(1) atoms to form distorted AuSn6 pentagonal pyramids that share corners with six equivalent Ni(1)Sn6 pentagonal pyramids, edges with six equivalent Ni(1)Sn6 pentagonal pyramids, and edges with six equivalent Au(1)Sn6 pentagonal pyramids. Sn(1) is bonded to three equivalent Ni(1) and three equivalent Au(1) atoms to form a mixture of face, corner, and edge-sharing SnNi3Au3 octahedra. The corner-sharing octahedral tilt angles range from 42-46°.
NiAuSn2 is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. Ni(1) is bonded to six equivalent Sn(1) atoms to form distorted NiSn6 pentagonal pyramids that share corners with six equivalent Au(1)Sn6 pentagonal pyramids, edges with six equivalent Ni(1)Sn6 pentagonal pyramids, and edges with six equivalent Au(1)Sn6 pentagonal pyramids. All Ni(1)-Sn(1) bond lengths are 2.65 Å. Au(1) is bonded to six equivalent Sn(1) atoms to form distorted AuSn6 pentagonal pyramids that share corners with six equivalent Ni(1)Sn6 pentagonal pyramids, edges with six equivalent Ni(1)Sn6 pentagonal pyramids, and edges with six equivalent Au(1)Sn6 pentagonal pyramids. All Au(1)-Sn(1) bond lengths are 2.92 Å. Sn(1) is bonded to three equivalent Ni(1) and three equivalent Au(1) atoms to form a mixture of face, corner, and edge-sharing SnNi3Au3 octahedra. The corner-sharing octahedral tilt angles range from 42-46°.