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Title: Materials Data on Li2MnV4O14 by Materials Project

Abstract

Li2V4MnO14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted edge-sharing LiO6 octahedra. There are a spread of Li–O bond distances ranging from 1.99–2.60 Å. There are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.10 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.08 Å. Mn7+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are two shorter (1.93 Å) and four longer (2.22 Å) Mn–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Li1+ and one V+4.75+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry tomore » one V+4.75+ and one Mn7+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.75+ and two equivalent Mn7+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V+4.75+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Li1+ atoms.« less

Publication Date:
Other Number(s):
mp-1191925
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; Li2MnV4O14; Li-Mn-O-V
OSTI Identifier:
1729254
DOI:
https://doi.org/10.17188/1729254

Citation Formats

The Materials Project. Materials Data on Li2MnV4O14 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729254.
The Materials Project. Materials Data on Li2MnV4O14 by Materials Project. United States. doi:https://doi.org/10.17188/1729254
The Materials Project. 2019. "Materials Data on Li2MnV4O14 by Materials Project". United States. doi:https://doi.org/10.17188/1729254. https://www.osti.gov/servlets/purl/1729254. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1729254,
title = {Materials Data on Li2MnV4O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2V4MnO14 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form distorted edge-sharing LiO6 octahedra. There are a spread of Li–O bond distances ranging from 1.99–2.60 Å. There are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.10 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.08 Å. Mn7+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are two shorter (1.93 Å) and four longer (2.22 Å) Mn–O bond lengths. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Li1+ and one V+4.75+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V+4.75+ and one Mn7+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.75+ and two equivalent Mn7+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V+4.75+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Li1+ atoms.},
doi = {10.17188/1729254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}