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Title: Materials Data on Be3N2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1193064· OSTI ID:1193064

Be3N2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Be2+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing BeN4 tetrahedra. There are a spread of Be–N bond distances ranging from 1.70–1.79 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. In the second N3- site, N3- is bonded to six equivalent Be2+ atoms to form a mixture of distorted corner and edge-sharing NBe6 octahedra. The corner-sharing octahedral tilt angles are 59°.

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:
1193064
Report Number(s):
mp-18337
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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