Materials Data on CoH2(CN2)2 by Materials Project
Co(HNCN)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Co2+ is bonded to six N3- atoms to form edge-sharing CoN6 octahedra. There are two shorter (2.00 Å) and four longer (2.21 Å) Co–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Co2+, one C4+, and one H1+ atom. The N–H bond length is 1.03 Å. In the second N3- site, N3- is bonded in a linear geometry to one Co2+ and one C4+ atom. H1+ is bonded in a single-bond geometry to one N3- 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:
- 1675926
- Report Number(s):
- mp-1181855
- Country of Publication:
- United States
- Language:
- English
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