Materials Data on CuN3 by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1262042· OSTI ID:1262042

The Materials Project

CuN3 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight CuN3 ribbons oriented in the (0, 0, 1) direction. Cu1+ is bonded in a linear geometry to two equivalent N+0.33- atoms. Both Cu–N bond lengths are 1.84 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to one Cu1+ and one N+0.33- 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: 1262042
• Report Number(s): mp-504768
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CuN3
Cu-N