Materials Data on KNiCl3 by Materials Project
KNiCl3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.30–3.48 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to six equivalent Cl1- atoms to form face-sharing NiCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.42 Å) Ni–Cl bond lengths. In the second Ni2+ site, Ni2+ is bonded to six equivalent Cl1- atoms to form face-sharing NiCl6 octahedra. There are three shorter (2.40 Å) and three longer (2.41 Å) Ni–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ni2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Ni2+ 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:
- 1201583
- Report Number(s):
- mp-27366
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on CsNiCl3 by Materials Project
Materials Data on RbNiCl3 by Materials Project