Materials Data on CuN6 by Materials Project
CuN6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu2+ is bonded to six N+0.33- atoms to form distorted edge-sharing CuN6 octahedra. There are a spread of Cu–N bond distances ranging from 2.01–2.75 Å. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.16 Å) and one longer (1.23 Å) N–N bond length. In the second N+0.33- site, N+0.33- is bonded in a bent 150 degrees geometry to one Cu2+ and one N+0.33- atom. The N–N bond length is 1.16 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the fourth N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to three equivalent Cu2+ and one N+0.33- atom. In the fifth N+0.33- site, N+0.33- is bonded in a single-bond geometry to one N+0.33- atom. In the sixth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- 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:
- 1277625
- Report Number(s):
- mp-608366
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on HgN6 by Materials Project
Materials Data on RbAuN12 by Materials Project