Hf9W4B 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 3-coordinate geometry to two equivalent W(2) and one B(1) atom. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one W(1), three equivalent W(2), and one B(1) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to six equivalent Hf(2) and six equivalent W(2) atoms to form face-sharing WHf6W6 cuboctahedra. In the second W site, W(2) is bonded in a 12-coordinate geometry to two equivalent Hf(1), six equivalent Hf(2), two equivalent W(1), and two equivalent W(2) atoms. B(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms.
Hf9W4B 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 3-coordinate geometry to two equivalent W(2) and one B(1) atom. Both Hf(1)-W(2) bond lengths are 2.87 Å. The Hf(1)-B(1) bond length is 3.06 Å. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one W(1), three equivalent W(2), and one B(1) atom. The Hf(2)-W(1) bond length is 3.06 Å. There is one shorter (2.94 Å) and two longer (3.10 Å) Hf(2)-W(2) bond lengths. The Hf(2)-B(1) bond length is 2.55 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to six equivalent Hf(2) and six equivalent W(2) atoms to form face-sharing WHf6W6 cuboctahedra. All W(1)-W(2) bond lengths are 2.70 Å. In the second W site, W(2) is bonded in a 12-coordinate geometry to two equivalent Hf(1), six equivalent Hf(2), two equivalent W(1), and two equivalent W(2) atoms. Both W(2)-W(2) bond lengths are 2.87 Å. B(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms.