Hf9Mo4Co crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Mo(1), three equivalent Mo(2), and one Co(1) atom. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to two equivalent Mo(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to six equivalent Hf(1) and six equivalent Mo(2) atoms to form face-sharing MoHf6Mo6 cuboctahedra. In the second Mo site, Mo(2) is bonded in a 12-coordinate geometry to two equivalent Hf(2), six equivalent Hf(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. Co(1) is bonded in a 6-coordinate geometry to six equivalent Hf(1) atoms.
Hf9Mo4Co crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Mo(1), three equivalent Mo(2), and one Co(1) atom. The Hf(1)-Mo(1) bond length is 3.07 Å. There is one shorter (2.92 Å) and two longer (3.08 Å) Hf(1)-Mo(2) bond lengths. The Hf(1)-Co(1) bond length is 2.53 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to two equivalent Mo(2) atoms. Both Hf(2)-Mo(2) bond lengths are 2.89 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to six equivalent Hf(1) and six equivalent Mo(2) atoms to form face-sharing MoHf6Mo6 cuboctahedra. All Mo(1)-Mo(2) bond lengths are 2.68 Å. In the second Mo site, Mo(2) is bonded in a 12-coordinate geometry to two equivalent Hf(2), six equivalent Hf(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. Both Mo(2)-Mo(2) bond lengths are 2.89 Å. Co(1) is bonded in a 6-coordinate geometry to six equivalent Hf(1) atoms.