U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K6Fe2O5 by Materials Project
Abstract
K6Fe2O5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four O2- atoms to form distorted edge-sharing KO4 trigonal pyramids. There are a spread of K–O bond distances ranging from 2.62–2.82 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.88 Å) and two longer (3.18 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.01 Å. In the fourth K1+ site, K1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.13 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.89 Å) and one longer (1.95 Å) Fe–O bond length. In the second Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å)more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-36915
- 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; K6Fe2O5; Fe-K-O
- OSTI Identifier:
- 1207267
- DOI:
- https://doi.org/10.17188/1207267
Citation Formats
The Materials Project. Materials Data on K6Fe2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207267.
The Materials Project. Materials Data on K6Fe2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1207267
The Materials Project. 2020.
"Materials Data on K6Fe2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1207267. https://www.osti.gov/servlets/purl/1207267. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1207267,
title = {Materials Data on K6Fe2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K6Fe2O5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four O2- atoms to form distorted edge-sharing KO4 trigonal pyramids. There are a spread of K–O bond distances ranging from 2.62–2.82 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.88 Å) and two longer (3.18 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.01 Å. In the fourth K1+ site, K1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.64–3.13 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.89 Å) and one longer (1.95 Å) Fe–O bond length. In the second Fe2+ site, Fe2+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å) Fe–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six K1+ and one Fe2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two Fe2+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to six K1+ and one Fe2+ atom.},
doi = {10.17188/1207267},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}