Materials Data on CuB(CN)4 by Materials Project
BCu(CN)4 is Tetraauricupride structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one boron molecule and one Cu(CN)4 cluster. In the Cu(CN)4 cluster, Cu1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Cu–N bond lengths are 1.95 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Cu1+ and one C2+ 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:
- 1189674
- Report Number(s):
- mp-13589
- Country of Publication:
- United States
- Language:
- English
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