Materials Data on C3N by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1337306· OSTI ID:1337306

The Materials Project

C3N crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two C3N sheets oriented in the (0, 1, 0) direction. there are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a linear geometry to two equivalent C1+ atoms. Both C–C bond lengths are 1.31 Å. In the second C1+ site, C1+ is bonded in a distorted L-shaped geometry to one C1+ and two equivalent N3- atoms. Both C–N bond lengths are 1.59 Å. N3- is bonded in a square co-planar geometry to four equivalent C1+ 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: 1337306
• Report Number(s): mp-1014298
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
C3N
C-N