Ni4Ge crystallizes in the trigonal R-3m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(2), six equivalent Ni(1), and three equivalent Ge(1) atoms to form distorted NiNi9Ge3 cuboctahedra that share corners with three equivalent Ni(2)Ni12 cuboctahedra; corners with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine Ni(2,2)Ni12 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; faces with six equivalent Ni(2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with six equivalent Ge(1)Ni6Ge6 cuboctahedra. In the second Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the third Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the fourth Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. In the fifth Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. Ge(1) is bonded to six equivalent Ni(1) and six equivalent Ge(1) atoms to form distorted GeNi6Ge6 cuboctahedra that share corners with six Ni(2,2)Ni12 cuboctahedra; corners with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with six Ni(2,2)Ni12 cuboctahedra; edges with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with twelve equivalent Ni(1)Ni9Ge3 cuboctahedra; faces with six equivalent Ge(1)Ni6Ge6 cuboctahedra; and faces with twelve equivalent Ni(1)Ni9Ge3 cuboctahedra.
Ni4Ge crystallizes in the trigonal R-3m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Ni(2), six equivalent Ni(1), and three equivalent Ge(1) atoms to form distorted NiNi9Ge3 cuboctahedra that share corners with three equivalent Ni(2)Ni12 cuboctahedra; corners with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine Ni(2,2)Ni12 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; faces with six equivalent Ni(2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with six equivalent Ge(1)Ni6Ge6 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.48 Å. All Ni(1)-Ni(1) bond lengths are 2.64 Å. All Ni(1)-Ge(1) bond lengths are 2.45 Å. In the second Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. There are three shorter (2.45 Å) and six longer (2.64 Å) Ni(2)-Ni(2,2) bond lengths. In the third Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. All Ni(2)-Ni(1) bond lengths are 2.48 Å. All Ni(2)-Ni(2) bond lengths are 2.64 Å. In the fourth Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. All Ni(2)-Ni(1) bond lengths are 2.48 Å. There are three shorter (2.45 Å) and six longer (2.64 Å) Ni(2)-Ni(2,2) bond lengths. In the fifth Ni site, Ni(2) is bonded to three equivalent Ni(1) and nine Ni(2,2) atoms to form NiNi12 cuboctahedra that share corners with three equivalent Ni(1)Ni9Ge3 cuboctahedra; corners with three equivalent Ge(1)Ni6Ge6 cuboctahedra; corners with six equivalent Ni(2)Ni12 cuboctahedra; edges with three equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with nine equivalent Ni(1)Ni9Ge3 cuboctahedra; edges with twelve Ni(2,2)Ni12 cuboctahedra; faces with six equivalent Ni(1)Ni9Ge3 cuboctahedra; and faces with twelve Ni(2,2)Ni12 cuboctahedra. All Ni(2)-Ni(1) bond lengths are 2.48 Å. There are three shorter (2.45 Å) and six longer (2.64 Å) Ni(2)-Ni(2,2) bond lengths. Ge(1) is bonded to six equivalent Ni(1) and six equivalent Ge(1) atoms to form distorted GeNi6Ge6 cuboctahedra that share corners with six Ni(2,2)Ni12 cuboctahedra; corners with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with six Ni(2,2)Ni12 cuboctahedra; edges with six equivalent Ge(1)Ni6Ge6 cuboctahedra; edges with twelve equivalent Ni(1)Ni9Ge3 cuboctahedra; faces with six equivalent Ge(1)Ni6Ge6 cuboctahedra; and faces with twelve equivalent Ni(1)Ni9Ge3 cuboctahedra. All Ge(1)-Ge(1) bond lengths are 2.64 Å.