Materials Data on Cu(BrN3)2 by Materials Project
CuN6(Br)2 crystallizes in the tetragonal I4/mmm space group. The structure is one-dimensional and consists of four hydrobromic acid molecules and two CuN6 ribbons oriented in the (0, 0, 1) direction. In each CuN6 ribbon, Cu2+ is bonded in a distorted square co-planar geometry to six N2- atoms. There are four shorter (1.83 Å) and two longer (2.78 Å) Cu–N bond lengths. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted linear geometry to one Cu2+ and one N2- atom. The N–N bond length is 1.11 Å. In the second N2- site, N2- is bonded in a single-bond geometry to one Cu2+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1717028
- Report Number(s):
- mp-1181539
- Country of Publication:
- United States
- Language:
- English
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