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Title: Materials Data on LiMnVO4 by Materials Project

Abstract

LiMnVO4 is Hausmannite-derived structured and crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.09–2.20 Å. V5+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four equivalent LiO6 octahedra. There are a spread of V–O bond distances ranging from 1.78–2.12 Å. Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 52–68°. There are two shorter (2.03 Å) and two longer (2.05 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one V5+, and one Mn2+ atom to form a mixture of distorted edge and corner-sharing OLi2MnV trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+,more » two equivalent V5+, and one Mn2+ atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-774424
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; LiMnVO4; Li-Mn-O-V
OSTI Identifier:
1302583
DOI:
10.17188/1302583

Citation Formats

The Materials Project. Materials Data on LiMnVO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302583.
The Materials Project. Materials Data on LiMnVO4 by Materials Project. United States. doi:10.17188/1302583.
The Materials Project. 2020. "Materials Data on LiMnVO4 by Materials Project". United States. doi:10.17188/1302583. https://www.osti.gov/servlets/purl/1302583. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1302583,
title = {Materials Data on LiMnVO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMnVO4 is Hausmannite-derived structured and crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.09–2.20 Å. V5+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with six equivalent MnO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four equivalent LiO6 octahedra. There are a spread of V–O bond distances ranging from 1.78–2.12 Å. Mn2+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent LiO6 octahedra and corners with six equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 52–68°. There are two shorter (2.03 Å) and two longer (2.05 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one V5+, and one Mn2+ atom to form a mixture of distorted edge and corner-sharing OLi2MnV trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+, two equivalent V5+, and one Mn2+ atom to form a mixture of distorted edge and corner-sharing OLiMnV2 trigonal pyramids.},
doi = {10.17188/1302583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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