Th3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Th(1), four equivalent Th(2), and four equivalent Ni(1) atoms to form distorted ThTh8Ni4 cuboctahedra that share corners with twelve equivalent Th(1)Th8Ni4 cuboctahedra, edges with eight equivalent Th(1)Th8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Th12 cuboctahedra, faces with four equivalent Ni(1)Th12 cuboctahedra, and faces with ten equivalent Th(1)Th8Ni4 cuboctahedra. In the second Th site, Th(2) is bonded in a distorted square co-planar geometry to eight equivalent Th(1) and four equivalent Ni(1) atoms. Ni(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form NiTh12 cuboctahedra that share corners with four equivalent Ni(1)Th12 cuboctahedra, edges with eight equivalent Ni(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8Ni4 cuboctahedra, faces with four equivalent Ni(1)Th12 cuboctahedra, and faces with eight equivalent Th(1)Th8Ni4 cuboctahedra.
Th3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Th(1), four equivalent Th(2), and four equivalent Ni(1) atoms to form distorted ThTh8Ni4 cuboctahedra that share corners with twelve equivalent Th(1)Th8Ni4 cuboctahedra, edges with eight equivalent Th(1)Th8Ni4 cuboctahedra, edges with eight equivalent Ni(1)Th12 cuboctahedra, faces with four equivalent Ni(1)Th12 cuboctahedra, and faces with ten equivalent Th(1)Th8Ni4 cuboctahedra. All Th(1)-Th(1) bond lengths are 3.28 Å. All Th(1)-Th(2) bond lengths are 3.39 Å. All Th(1)-Ni(1) bond lengths are 3.39 Å. In the second Th site, Th(2) is bonded in a distorted square co-planar geometry to eight equivalent Th(1) and four equivalent Ni(1) atoms. All Th(2)-Ni(1) bond lengths are 3.28 Å. Ni(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form NiTh12 cuboctahedra that share corners with four equivalent Ni(1)Th12 cuboctahedra, edges with eight equivalent Ni(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8Ni4 cuboctahedra, faces with four equivalent Ni(1)Th12 cuboctahedra, and faces with eight equivalent Th(1)Th8Ni4 cuboctahedra.