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Title: Materials Data on K2FeO4 by Materials Project

Abstract

K2FeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to three O atoms. There are a spread of K–O bond distances ranging from 2.70–2.83 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.71–3.27 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.66 Å) and two longer (1.67 Å) Fe–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent K and one Fe atom. In the second O site, O is bonded in a distorted single-bond geometry to two K and one Fe atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one Fe atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one Fe atom.

Publication Date:
Other Number(s):
mp-1178165
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2FeO4; Fe-K-O
OSTI Identifier:
1723237
DOI:
https://doi.org/10.17188/1723237

Citation Formats

The Materials Project. Materials Data on K2FeO4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1723237.
The Materials Project. Materials Data on K2FeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1723237
The Materials Project. 2019. "Materials Data on K2FeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1723237. https://www.osti.gov/servlets/purl/1723237. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1723237,
title = {Materials Data on K2FeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2FeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to three O atoms. There are a spread of K–O bond distances ranging from 2.70–2.83 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.71–3.27 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.66 Å) and two longer (1.67 Å) Fe–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent K and one Fe atom. In the second O site, O is bonded in a distorted single-bond geometry to two K and one Fe atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one Fe atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one Fe atom.},
doi = {10.17188/1723237},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}