Materials Data on NaBeAs by Materials Project
NaBeAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na1+ is bonded to six equivalent As3- atoms to form a mixture of distorted face, edge, and corner-sharing NaAs6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Na–As bond lengths are 3.16 Å. Be2+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Be–As bond lengths are 2.22 Å. As3- is bonded in a distorted trigonal planar geometry to six equivalent Na1+ and three equivalent Be2+ atoms.
- 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:
- 1313343
- Report Number(s):
- mp-9573
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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