Hf6Co23 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Co(2), four equivalent Co(3), and four equivalent Co(4) atoms. There are four inequivalent Co sites. In the first Co site, Co(4) is bonded in a distorted q6 geometry to three equivalent Hf(1), three equivalent Co(2), three equivalent Co(3), and three equivalent Co(4) atoms. In the second Co site, Co(1) is bonded in a body-centered cubic geometry to eight equivalent Co(3) atoms. In the third Co site, Co(2) is bonded to four equivalent Hf(1), four equivalent Co(3), and four equivalent Co(4) atoms to form a mixture of face and corner-sharing CoHf4Co8 cuboctahedra. In the fourth Co site, Co(3) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Co(1), three equivalent Co(2), three equivalent Co(3), and three equivalent Co(4) atoms.
Hf6Co23 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Co(2), four equivalent Co(3), and four equivalent Co(4) atoms. All Hf(1)-Co(2) bond lengths are 2.88 Å. All Hf(1)-Co(3) bond lengths are 2.74 Å. All Hf(1)-Co(4) bond lengths are 2.82 Å. There are four inequivalent Co sites. In the first Co site, Co(4) is bonded in a distorted q6 geometry to three equivalent Hf(1), three equivalent Co(2), three equivalent Co(3), and three equivalent Co(4) atoms. All Co(4)-Co(2) bond lengths are 2.33 Å. All Co(4)-Co(3) bond lengths are 2.48 Å. All Co(4)-Co(4) bond lengths are 2.47 Å. In the second Co site, Co(1) is bonded in a body-centered cubic geometry to eight equivalent Co(3) atoms. All Co(1)-Co(3) bond lengths are 2.40 Å. In the third Co site, Co(2) is bonded to four equivalent Hf(1), four equivalent Co(3), and four equivalent Co(4) atoms to form a mixture of face and corner-sharing CoHf4Co8 cuboctahedra. All Co(2)-Co(3) bond lengths are 2.49 Å. In the fourth Co site, Co(3) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Co(1), three equivalent Co(2), three equivalent Co(3), and three equivalent Co(4) atoms. All Co(3)-Co(3) bond lengths are 2.77 Å.