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Title: Materials Data on Li3Mn2(FeO4)2 by Materials Project

Abstract

(LiMnO2)2LiFeO2FeO2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one iron dihydroxide molecule; one LiFeO2 ribbon oriented in the (0, 1, 1) direction; and two LiMnO2 ribbons oriented in the (0, 1, 1) direction. In the LiFeO2 ribbon, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.63 Å. Fe3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.41 Å. O2- is bonded in a distorted linear geometry to one Li1+ and one Fe3+ atom. In each LiMnO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.41 Å. Mn+3.50+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Mn–O bond lengths are 1.66 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one Mn+3.50+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-767363
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; Li3Mn2(FeO4)2; Fe-Li-Mn-O
OSTI Identifier:
1297567
DOI:
10.17188/1297567

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li3Mn2(FeO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297567.
Persson, Kristin, & Project, Materials. Materials Data on Li3Mn2(FeO4)2 by Materials Project. United States. doi:10.17188/1297567.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li3Mn2(FeO4)2 by Materials Project". United States. doi:10.17188/1297567. https://www.osti.gov/servlets/purl/1297567. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1297567,
title = {Materials Data on Li3Mn2(FeO4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(LiMnO2)2LiFeO2FeO2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one iron dihydroxide molecule; one LiFeO2 ribbon oriented in the (0, 1, 1) direction; and two LiMnO2 ribbons oriented in the (0, 1, 1) direction. In the LiFeO2 ribbon, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.63 Å. Fe3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.41 Å. O2- is bonded in a distorted linear geometry to one Li1+ and one Fe3+ atom. In each LiMnO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.41 Å. Mn+3.50+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Mn–O bond lengths are 1.66 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one Mn+3.50+ atom.},
doi = {10.17188/1297567},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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