Materials Data on K3Hf by Materials Project
K3Hf is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Hf atoms to form a mixture of distorted face, edge, and corner-sharing KK4Hf4 tetrahedra. All K–K bond lengths are 3.98 Å. All K–Hf bond lengths are 3.98 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Hf is bonded in a body-centered cubic geometry to eight equivalent K atoms.
- 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:
- 1719405
- Report Number(s):
- mp-1184880
- Country of Publication:
- United States
- Language:
- English
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