CeIr3 crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ir(2) and twelve equivalent Ir(3) atoms. In the second Ce site, Ce(2) is bonded in a 12-coordinate geometry to three equivalent Ir(1) and nine equivalent Ir(3) atoms. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to six equivalent Ce(2) and six equivalent Ir(3) atoms to form IrCe6Ir6 cuboctahedra that share corners with twelve equivalent Ir(3)Ce5Ir7 cuboctahedra, edges with six equivalent Ir(1)Ce6Ir6 cuboctahedra, and faces with eighteen equivalent Ir(3)Ce5Ir7 cuboctahedra. In the second Ir site, Ir(2) is bonded in a 12-coordinate geometry to three equivalent Ce(1), three equivalent Ir(2), and six equivalent Ir(3) atoms. In the third Ir site, Ir(3) is bonded to two equivalent Ce(1), three equivalent Ce(2), one Ir(1), two equivalent Ir(2), and four equivalent Ir(3) atoms to form distorted IrCe5Ir7 cuboctahedra that share corners with two equivalent Ir(1)Ce6Ir6 cuboctahedra, corners with fifteen equivalent Ir(3)Ce5Ir7 cuboctahedra, edges with eight equivalent Ir(3)Ce5Ir7 cuboctahedra, faces with three equivalent Ir(1)Ce6Ir6 cuboctahedra, and faces with eleven equivalent Ir(3)Ce5Ir7 cuboctahedra.
CeIr3 crystallizes in the trigonal R-3m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ir(2) and twelve equivalent Ir(3) atoms. All Ce(1)-Ir(2) bond lengths are 3.06 Å. All Ce(1)-Ir(3) bond lengths are 3.43 Å. In the second Ce site, Ce(2) is bonded in a 12-coordinate geometry to three equivalent Ir(1) and nine equivalent Ir(3) atoms. All Ce(2)-Ir(1) bond lengths are 3.15 Å. There are six shorter (3.04 Å) and three longer (3.34 Å) Ce(2)-Ir(3) bond lengths. There are three inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to six equivalent Ce(2) and six equivalent Ir(3) atoms to form IrCe6Ir6 cuboctahedra that share corners with twelve equivalent Ir(3)Ce5Ir7 cuboctahedra, edges with six equivalent Ir(1)Ce6Ir6 cuboctahedra, and faces with eighteen equivalent Ir(3)Ce5Ir7 cuboctahedra. All Ir(1)-Ir(3) bond lengths are 2.71 Å. In the second Ir site, Ir(2) is bonded in a 12-coordinate geometry to three equivalent Ce(1), three equivalent Ir(2), and six equivalent Ir(3) atoms. All Ir(2)-Ir(2) bond lengths are 3.06 Å. There are three shorter (2.66 Å) and three longer (2.67 Å) Ir(2)-Ir(3) bond lengths. In the third Ir site, Ir(3) is bonded to two equivalent Ce(1), three equivalent Ce(2), one Ir(1), two equivalent Ir(2), and four equivalent Ir(3) atoms to form distorted IrCe5Ir7 cuboctahedra that share corners with two equivalent Ir(1)Ce6Ir6 cuboctahedra, corners with fifteen equivalent Ir(3)Ce5Ir7 cuboctahedra, edges with eight equivalent Ir(3)Ce5Ir7 cuboctahedra, faces with three equivalent Ir(1)Ce6Ir6 cuboctahedra, and faces with eleven equivalent Ir(3)Ce5Ir7 cuboctahedra. There are two shorter (2.64 Å) and two longer (2.66 Å) Ir(3)-Ir(3) bond lengths.