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Title: Materials Data on Li2MnWO6 by Materials Project

Abstract

Li2WMnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.03 Å) and three longer (2.26 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (1.99 Å) and three longer (2.43 Å) Li–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There is three shorter (1.92 Å) and three longer (1.97 Å) W–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There is three shorter (1.91 Å) and three longer (1.95 Å) Mn–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one W6+, and one Mn4+ atom to form a mixture of distorted corner and edge-sharing OLi2MnW tetrahedra. In the second O2-more » site, O2- is bonded in a 4-coordinate geometry to two Li1+, one W6+, and one Mn4+ atom.« less

Publication Date:
Other Number(s):
mp-776740
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; Li2MnWO6; Li-Mn-O-W
OSTI Identifier:
1304412
DOI:
10.17188/1304412

Citation Formats

The Materials Project. Materials Data on Li2MnWO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304412.
The Materials Project. Materials Data on Li2MnWO6 by Materials Project. United States. doi:10.17188/1304412.
The Materials Project. 2020. "Materials Data on Li2MnWO6 by Materials Project". United States. doi:10.17188/1304412. https://www.osti.gov/servlets/purl/1304412. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1304412,
title = {Materials Data on Li2MnWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2WMnO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.03 Å) and three longer (2.26 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (1.99 Å) and three longer (2.43 Å) Li–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There is three shorter (1.92 Å) and three longer (1.97 Å) W–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There is three shorter (1.91 Å) and three longer (1.95 Å) Mn–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Li1+, one W6+, and one Mn4+ atom to form a mixture of distorted corner and edge-sharing OLi2MnW tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one W6+, and one Mn4+ atom.},
doi = {10.17188/1304412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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