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Materials Data on Na2BN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1689413· OSTI ID:1689413
Na2BN crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Na2BN ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted single-bond geometry to one B3- atom. The Na–B bond length is 2.97 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to two equivalent B3- atoms. Both Na–B bond lengths are 2.77 Å. B3- is bonded in a distorted bent 120 degrees geometry to three Na1+ and two equivalent N1+ atoms. Both B–N bond lengths are 1.43 Å. N1+ is bonded in a bent 120 degrees geometry to two equivalent B3- 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:
1689413
Report Number(s):
mp-1189680
Country of Publication:
United States
Language:
English

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