Materials Data on KCN3O2 by Materials Project
KCN3O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to four N+0.33- and five O2- atoms. There are a spread of K–N bond distances ranging from 2.89–3.16 Å. There are a spread of K–O bond distances ranging from 2.98–3.22 Å. C4+ is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.18 Å) and one longer (1.32 Å) C–N bond length. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to three equivalent K1+ and one C4+ atom. In the second N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to one N+0.33- and two O2- atoms. The N–N bond length is 1.35 Å. Both N–O bond lengths are 1.26 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one K1+, one C4+, and one N+0.33- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+0.33- atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ 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:
- 1270597
- Report Number(s):
- mp-558995
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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