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Title: Materials Data on NaBeAs by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313343· OSTI ID:1313343

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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