Materials Data on B2CN by Materials Project
B2CN is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to one C3- and three equivalent N3- atoms to form corner-sharing BCN3 tetrahedra. The B–C bond length is 1.60 Å. All B–N bond lengths are 1.59 Å. In the second B3+ site, B3+ is bonded to three equivalent C3- and one N3- atom to form corner-sharing BC3N tetrahedra. All B–C bond lengths are 1.65 Å. The B–N bond length is 1.52 Å. C3- is bonded to four B3+ atoms to form CB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra. N3- is bonded to four B3+ atoms to form NB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 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:
- 1325054
- Report Number(s):
- mp-1008525
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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