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Title: Materials Data on Li2Mn(CoO3)2 by Materials Project

Abstract

Li2Mn(CoO3)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.06 Å) and two longer (2.08 Å) Li–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent CoO6 octahedra. There is two shorter (1.93 Å) and four longer (1.97 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with three equivalent MnO6 octahedra and edges with three equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.96–2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+, one Mn2+, and two equivalent Co4+ atoms to form a mixture of distorted edge and corner-sharing OLi2MnCo2 square pyramids.

Publication Date:
Other Number(s):
mp-1177992
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; Li2Mn(CoO3)2; Co-Li-Mn-O
OSTI Identifier:
1740569
DOI:
https://doi.org/10.17188/1740569

Citation Formats

The Materials Project. Materials Data on Li2Mn(CoO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740569.
The Materials Project. Materials Data on Li2Mn(CoO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1740569
The Materials Project. 2020. "Materials Data on Li2Mn(CoO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1740569. https://www.osti.gov/servlets/purl/1740569. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1740569,
title = {Materials Data on Li2Mn(CoO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Mn(CoO3)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.06 Å) and two longer (2.08 Å) Li–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with six equivalent CoO6 octahedra. There is two shorter (1.93 Å) and four longer (1.97 Å) Mn–O bond length. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share edges with three equivalent MnO6 octahedra and edges with three equivalent CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.96–2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded to two equivalent Li1+, one Mn2+, and two equivalent Co4+ atoms to form a mixture of distorted edge and corner-sharing OLi2MnCo2 square pyramids.},
doi = {10.17188/1740569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}