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Title: Materials Data on K3(FeO2)2 by Materials Project

Abstract

K3(FeO2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.97 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All K–O bond lengths are 2.70 Å. Fe+2.50+ is bonded to four O2- atoms to form corner-sharing FeO4 tetrahedra. There is two shorter (1.98 Å) and two longer (2.00 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four K1+ and two equivalent Fe+2.50+ atoms to form a mixture of corner and edge-sharing OK4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 12–65°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Fe+2.50+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1193571
Report Number(s):
mp-18865
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; K3(FeO2)2; Fe-K-O

Citation Formats

The Materials Project. Materials Data on K3(FeO2)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1193571.
The Materials Project. Materials Data on K3(FeO2)2 by Materials Project. United States. https://doi.org/10.17188/1193571
The Materials Project. 2017. "Materials Data on K3(FeO2)2 by Materials Project". United States. https://doi.org/10.17188/1193571. https://www.osti.gov/servlets/purl/1193571.
@article{osti_1193571,
title = {Materials Data on K3(FeO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K3(FeO2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.97 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All K–O bond lengths are 2.70 Å. Fe+2.50+ is bonded to four O2- atoms to form corner-sharing FeO4 tetrahedra. There is two shorter (1.98 Å) and two longer (2.00 Å) Fe–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four K1+ and two equivalent Fe+2.50+ atoms to form a mixture of corner and edge-sharing OK4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 12–65°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Fe+2.50+ atoms.},
doi = {10.17188/1193571},
url = {https://www.osti.gov/biblio/1193571}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 18 00:00:00 EDT 2017},
month = {Tue Jul 18 00:00:00 EDT 2017}
}