Materials Data on K3NaFeCl6 by Materials Project
K3NaFeCl6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.39 Å. Na1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All Na–Cl bond lengths are 2.84 Å. Fe2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Fe–Cl bond lengths are 2.51 Å. Cl1- is bonded to four equivalent K1+, one Na1+, and one Fe2+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4NaFe octahedra. The corner-sharing octahedra tilt angles range from 0–62°.
- 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:
- 1199251
- Report Number(s):
- mp-23125
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on K3NaFeCl6 by Materials Project
Materials Data on K3NaFeCl6 by Materials Project
Materials Data on K3NaFeCl6 by Materials Project
Dataset
·
Sat Jul 18 00:00:00 EDT 2020
·
OSTI ID:1288609
Materials Data on K3NaFeCl6 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1284557
Materials Data on K3NaFeCl6 by Materials Project
Dataset
·
Wed Apr 29 00:00:00 EDT 2020
·
OSTI ID:1719284