Materials Data on SmOF by Materials Project
SmOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Sm–O bond lengths are 2.41 Å. All Sm–F bond lengths are 2.41 Å. O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with four equivalent FSm4 tetrahedra, corners with twelve equivalent OSm4 tetrahedra, and edges with six equivalent FSm4 tetrahedra. F1- is bonded to four equivalent Sm3+ atoms to form FSm4 tetrahedra that share corners with four equivalent OSm4 tetrahedra, corners with twelve equivalent FSm4 tetrahedra, and edges with six equivalent OSm4 tetrahedra.
- 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:
- 1207353
- Report Number(s):
- mp-37381
- Country of Publication:
- United States
- Language:
- English
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