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Title: Materials Data on Li2(FeO2)3 by Materials Project

Abstract

Li2(FeO2)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. There are two shorter (2.03 Å) and two longer (2.10 Å) Li–O bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are two shorter (2.03 Å) and four longer (2.08 Å) Fe–O bond lengths. In the second Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.97–2.12 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the second O site, O is bonded to two equivalent Li and three Fe atoms to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1178060
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; Li2(FeO2)3; Fe-Li-O
OSTI Identifier:
1726937
DOI:
https://doi.org/10.17188/1726937

Citation Formats

The Materials Project. Materials Data on Li2(FeO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726937.
The Materials Project. Materials Data on Li2(FeO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1726937
The Materials Project. 2020. "Materials Data on Li2(FeO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1726937. https://www.osti.gov/servlets/purl/1726937. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1726937,
title = {Materials Data on Li2(FeO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2(FeO2)3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. There are two shorter (2.03 Å) and two longer (2.10 Å) Li–O bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are two shorter (2.03 Å) and four longer (2.08 Å) Fe–O bond lengths. In the second Fe site, Fe is bonded to six O atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.97–2.12 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the second O site, O is bonded to two equivalent Li and three Fe atoms to form a mixture of distorted edge and corner-sharing OLi2Fe3 trigonal bipyramids.},
doi = {10.17188/1726937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}