Materials Data on K3NaFeCl6 by Materials Project
Abstract
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°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-23125
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K3NaFeCl6; Cl-Fe-K-Na
- OSTI Identifier:
- 1199251
- DOI:
- https://doi.org/10.17188/1199251
Citation Formats
The Materials Project. Materials Data on K3NaFeCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199251.
The Materials Project. Materials Data on K3NaFeCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1199251
The Materials Project. 2020.
"Materials Data on K3NaFeCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1199251. https://www.osti.gov/servlets/purl/1199251. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1199251,
title = {Materials Data on K3NaFeCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {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°.},
doi = {10.17188/1199251},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 00:00:00 EDT 2020},
month = {Fri Jul 24 00:00:00 EDT 2020}
}
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