Materials Data on KC2N3 by Materials Project
KC2N3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded to seven N3- atoms to form a mixture of distorted edge and face-sharing KN7 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.84–3.23 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, 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 three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent K1+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NK3C tetrahedra. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two C4+ 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:
- 1279647
- Report Number(s):
- mp-637256
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on KC2N3 by Materials Project
Materials Data on KC2N3 by Materials Project