Search Navigation Menu
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scientific Data

Title: Materials Data on Li4MnCo2O7 by Materials Project

Abstract

Li4MnCo2O7 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Li4MnCo2O7 ribbon oriented in the (4, 5, 3) direction. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.30 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.14 Å) and one longer (1.18 Å) Li–O bond length. In the third Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.28 Å) and one longer (1.32 Å) Li–O bond length. In the fourth Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.19 Å) and one longer (1.20 Å) Li–O bond length. In the fifth Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) Li–O bond length. In the sixth Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two O2- atoms. Theremore » is one shorter (1.17 Å) and one longer (1.41 Å) Li–O bond length. In the seventh Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.15 Å) and one longer (1.40 Å) Li–O bond length. In the eighth Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) Li–O bond length. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) Mn–O bond length. In the second Mn2+ site, Mn2+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.10 Å) and one longer (1.30 Å) Mn–O bond length. There are four inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.14 Å) Co–O bond length. In the second Co4+ site, Co4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.28 Å) Co–O bond length. In the third Co4+ site, Co4+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.15 Å) and one longer (1.33 Å) Co–O bond length. In the fourth Co4+ site, Co4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.26 Å) Co–O bond length. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Li1+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Co4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Co4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Li1+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co4+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Mn2+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Li1+ and one Co4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn2+ atom. In the ninth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co4+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn2+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Co4+ atom. In the twelfth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co4+ atom. In the thirteenth O2- site, O2- is bonded in a linear geometry to two Li1+ atoms. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Co4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1174614
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li4MnCo2O7; Co-Li-Mn-O
OSTI Identifier:
1738601
DOI:
https://doi.org/10.17188/1738601

Citation Formats

The Materials Project. Materials Data on Li4MnCo2O7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1738601.
Copy to clipboard
The Materials Project. Materials Data on Li4MnCo2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1738601
Copy to clipboard
The Materials Project. 2019. "Materials Data on Li4MnCo2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1738601. https://www.osti.gov/servlets/purl/1738601. Pub date:Fri Jan 11 00:00:00 EST 2019
Copy to clipboard
@article{osti_1738601,
title = {Materials Data on Li4MnCo2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4MnCo2O7 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Li4MnCo2O7 ribbon oriented in the (4, 5, 3) direction. there are eight inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.30 Å) Li–O bond length. In the second Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.14 Å) and one longer (1.18 Å) Li–O bond length. In the third Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.28 Å) and one longer (1.32 Å) Li–O bond length. In the fourth Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.19 Å) and one longer (1.20 Å) Li–O bond length. In the fifth Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) Li–O bond length. In the sixth Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.17 Å) and one longer (1.41 Å) Li–O bond length. In the seventh Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.15 Å) and one longer (1.40 Å) Li–O bond length. In the eighth Li1+ site, Li1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.31 Å) Li–O bond length. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) Mn–O bond length. In the second Mn2+ site, Mn2+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.10 Å) and one longer (1.30 Å) Mn–O bond length. There are four inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.07 Å) and one longer (1.14 Å) Co–O bond length. In the second Co4+ site, Co4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.28 Å) Co–O bond length. In the third Co4+ site, Co4+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.15 Å) and one longer (1.33 Å) Co–O bond length. In the fourth Co4+ site, Co4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.26 Å) Co–O bond length. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Li1+ and one Mn2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Co4+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Co4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Li1+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co4+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Mn2+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Li1+ and one Co4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn2+ atom. In the ninth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co4+ atom. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn2+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Co4+ atom. In the twelfth O2- site, O2- is bonded in a linear geometry to one Li1+ and one Co4+ atom. In the thirteenth O2- site, O2- is bonded in a linear geometry to two Li1+ atoms. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Co4+ atom.},
doi = {10.17188/1738601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1738601
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: