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Title: Materials Data on AlB3N4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1350801· OSTI ID:1350801

AlB3N4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Al3+ is bonded to four equivalent N3- atoms to form AlN4 tetrahedra that share corners with twelve equivalent BN4 tetrahedra. All Al–N bond lengths are 1.79 Å. B3+ is bonded to four equivalent N3- atoms to form BN4 tetrahedra that share corners with four equivalent AlN4 tetrahedra and corners with eight equivalent BN4 tetrahedra. All B–N bond lengths are 1.63 Å. N3- is bonded to one Al3+ and three equivalent B3+ atoms to form corner-sharing NAlB3 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:
1350801
Report Number(s):
mp-1019379
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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