Materials Data on Hf2Sb3Te by Materials Project
Hf2Sb3Te crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded in a 8-coordinate geometry to five Sb2- and three equivalent Te2- atoms. There are a spread of Hf–Sb bond distances ranging from 2.99–3.04 Å. There are two shorter (3.01 Å) and one longer (3.08 Å) Hf–Te bond lengths. In the second Hf4+ site, Hf4+ is bonded in a 8-coordinate geometry to six Sb2- and two equivalent Te2- atoms. There are a spread of Hf–Sb bond distances ranging from 2.99–3.04 Å. Both Hf–Te bond lengths are 3.00 Å. There are three inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to three Hf4+ and three equivalent Sb2- atoms. There are one shorter (2.90 Å) and two longer (3.12 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded in a 6-coordinate geometry to three Hf4+ and three equivalent Sb2- atoms. In the third Sb2- site, Sb2- is bonded in a 5-coordinate geometry to five Hf4+ atoms. Te2- is bonded in a 5-coordinate geometry to five Hf4+ 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:
- 1692680
- Report Number(s):
- mp-1224341
- Country of Publication:
- United States
- Language:
- English
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