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Materials Data on Be3N2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1285185· OSTI ID:1285185
Be3N2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing BeN4 tetrahedra. There is one shorter (1.68 Å) and three longer (1.81 Å) Be–N bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Be–N bond lengths are 1.64 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Be2+ atoms to form corner-sharing NBe5 trigonal bipyramids. In the second N3- site, N3- is bonded in a 6-coordinate geometry to six equivalent Be2+ atoms.
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:
1285185
Report Number(s):
mp-6977
Country of Publication:
United States
Language:
English

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