CeNi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to three equivalent Ni(2) and nine equivalent Ni(1) atoms. In the second Ce site, Ce(2) is bonded in a distorted hexagonal planar geometry to three equivalent Ni(3), three equivalent Ni(4), and twelve equivalent Ni(1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ce(2), three equivalent Ce(1), one Ni(2), one Ni(3), one Ni(4), and four equivalent Ni(1) atoms to form distorted NiCe5Ni7 cuboctahedra that share corners with two equivalent Ni(2)Ce6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Ce5Ni7 cuboctahedra, edges with eight equivalent Ni(1)Ce5Ni7 cuboctahedra, faces with three equivalent Ni(2)Ce6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Ce5Ni7 cuboctahedra. In the second Ni site, Ni(2) is bonded to six equivalent Ce(1) and six equivalent Ni(1) atoms to form NiCe6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Ce5Ni7 cuboctahedra, edges with six equivalent Ni(2)Ce6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Ce5Ni7 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to three equivalent Ce(2), three equivalent Ni(4), and six equivalent Ni(1) atoms. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to three equivalent Ce(2), three equivalent Ni(3), and six equivalent Ni(1) atoms.
CeNi3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 12-coordinate geometry to three equivalent Ni(2) and nine equivalent Ni(1) atoms. All Ce(1)-Ni(2) bond lengths are 2.90 Å. There are six shorter (2.82 Å) and three longer (3.11 Å) Ce(1)-Ni(1) bond lengths. In the second Ce site, Ce(2) is bonded in a distorted hexagonal planar geometry to three equivalent Ni(3), three equivalent Ni(4), and twelve equivalent Ni(1) atoms. All Ce(2)-Ni(3) bond lengths are 2.82 Å. All Ce(2)-Ni(4) bond lengths are 2.82 Å. All Ce(2)-Ni(1) bond lengths are 3.17 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ce(2), three equivalent Ce(1), one Ni(2), one Ni(3), one Ni(4), and four equivalent Ni(1) atoms to form distorted NiCe5Ni7 cuboctahedra that share corners with two equivalent Ni(2)Ce6Ni6 cuboctahedra, corners with fifteen equivalent Ni(1)Ce5Ni7 cuboctahedra, edges with eight equivalent Ni(1)Ce5Ni7 cuboctahedra, faces with three equivalent Ni(2)Ce6Ni6 cuboctahedra, and faces with eleven equivalent Ni(1)Ce5Ni7 cuboctahedra. The Ni(1)-Ni(2) bond length is 2.51 Å. The Ni(1)-Ni(3) bond length is 2.46 Å. The Ni(1)-Ni(4) bond length is 2.46 Å. There are two shorter (2.44 Å) and two longer (2.45 Å) Ni(1)-Ni(1) bond lengths. In the second Ni site, Ni(2) is bonded to six equivalent Ce(1) and six equivalent Ni(1) atoms to form NiCe6Ni6 cuboctahedra that share corners with twelve equivalent Ni(1)Ce5Ni7 cuboctahedra, edges with six equivalent Ni(2)Ce6Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Ce5Ni7 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 12-coordinate geometry to three equivalent Ce(2), three equivalent Ni(4), and six equivalent Ni(1) atoms. All Ni(3)-Ni(4) bond lengths are 2.82 Å. In the fourth Ni site, Ni(4) is bonded in a 12-coordinate geometry to three equivalent Ce(2), three equivalent Ni(3), and six equivalent Ni(1) atoms.