Materials Data on Hf5Sb9 by Materials Project
Hf5Sb9 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded in a 9-coordinate geometry to nine Sb+2.22- atoms. There are a spread of Hf–Sb bond distances ranging from 3.03–3.09 Å. In the second Hf4+ site, Hf4+ is bonded in a 8-coordinate geometry to eight Sb+2.22- atoms. There are a spread of Hf–Sb bond distances ranging from 2.91–3.21 Å. There are three inequivalent Sb+2.22- sites. In the first Sb+2.22- site, Sb+2.22- is bonded in a 4-coordinate geometry to four Hf4+ atoms. In the second Sb+2.22- site, Sb+2.22- is bonded in a 5-coordinate geometry to five Hf4+ atoms. In the third Sb+2.22- site, Sb+2.22- is bonded in a 5-coordinate geometry to five Hf4+ atoms.