Hf9W4Fe 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 W(2), three equivalent W(1), and one Fe(1) atom. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 12-coordinate geometry to two equivalent Hf(2), six equivalent Hf(1), two equivalent W(1), and two equivalent W(2) atoms. In the second W site, W(2) is bonded to six equivalent Hf(1) and six equivalent W(1) atoms to form face-sharing WHf6W6 cuboctahedra. Fe(1) is bonded in a 6-coordinate geometry to six equivalent Hf(1) atoms.
Hf9W4Fe 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 W(2), three equivalent W(1), and one Fe(1) atom. The Hf(1)-W(2) bond length is 3.08 Å. There is one shorter (2.93 Å) and two longer (3.09 Å) Hf(1)-W(1) bond lengths. The Hf(1)-Fe(1) bond length is 2.56 Å. In the second Hf site, Hf(2) is bonded in a 2-coordinate geometry to two equivalent W(1) atoms. Both Hf(2)-W(1) bond lengths are 2.90 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 12-coordinate geometry to two equivalent Hf(2), six equivalent Hf(1), two equivalent W(1), and two equivalent W(2) atoms. Both W(1)-W(1) bond lengths are 2.93 Å. Both W(1)-W(2) bond lengths are 2.71 Å. In the second W site, W(2) is bonded to six equivalent Hf(1) and six equivalent W(1) atoms to form face-sharing WHf6W6 cuboctahedra. Fe(1) is bonded in a 6-coordinate geometry to six equivalent Hf(1) atoms.