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Title: Materials Data on B2(CN2)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316806· OSTI ID:1316806

B2(CN2)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two B2(CN2)3 sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three N3- atoms. All B–N bond lengths are 1.43 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.22 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.22 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the second N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one B3+ and one C4+ atom.

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:
1316806
Report Number(s):
mp-989472
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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