Materials Data on NaMgP by Materials Project
NaMgP is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to four equivalent Mg2+ and four equivalent P3- atoms. All Na–Mg bond lengths are 2.74 Å. All Na–P bond lengths are 2.74 Å. Mg2+ is bonded in a 10-coordinate geometry to four equivalent Na1+ and six equivalent P3- atoms. All Mg–P bond lengths are 3.16 Å. P3- is bonded to four equivalent Na1+ and six equivalent Mg2+ atoms to form a mixture of corner and face-sharing PNa4Mg6 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:
- 1313426
- Report Number(s):
- mp-961699
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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