Materials Data on C3N4 by Materials Project
C3N4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. C4+ is bonded to four N3- atoms to form corner-sharing CN4 tetrahedra. There is three shorter (1.46 Å) and one longer (1.47 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three equivalent C4+ atoms.
- 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:
- 1195043
- Report Number(s):
- mp-1985
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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