Materials Data on HfSb2 by Materials Project
HfSb2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf4+ is bonded in a 9-coordinate geometry to nine Sb2- atoms. There are a spread of Hf–Sb bond distances ranging from 3.03–3.10 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded to five equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing SbHf5 trigonal bipyramids. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Hf4+ and four equivalent Sb2- atoms. All Sb–Sb bond lengths are 2.93 Å.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1350301
- Report Number(s):
- mp-1018717
- Country of Publication:
- United States
- Language:
- English
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