Materials Data on KBaSn by Materials Project
KBaSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Sn atoms. All K–Ba bond lengths are 3.50 Å. All K–Sn bond lengths are 3.50 Å. Ba is bonded in a distorted q6 geometry to four equivalent K and six equivalent Sn atoms. All Ba–Sn bond lengths are 4.04 Å. Sn is bonded to four equivalent K and six equivalent Ba atoms to form a mixture of distorted face and corner-sharing SnK4Ba6 tetrahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1313474
- Report Number(s):
- mp-962073
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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