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Title: Materials Data on Li2Mn3WO8 by Materials Project

Abstract

Li2WMn3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent WO6 octahedra and corners with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are three shorter (2.04 Å) and one longer (2.13 Å) Li–O bond lengths. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent MnO6 octahedra. All W–O bond lengths are 1.97 Å. Mn+2.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent WO6 octahedra, and edges with four equivalent MnO6 octahedra. There are two shorter (2.00 Å) and four longer (2.18 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent Mn+2.67+ atoms to form corner-sharing OLiMn3 tetrahedra. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one W6+, and two equivalent Mn+2.67+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1177924
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; Li2Mn3WO8; Li-Mn-O-W
OSTI Identifier:
1696157
DOI:
https://doi.org/10.17188/1696157

Citation Formats

The Materials Project. Materials Data on Li2Mn3WO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1696157.
The Materials Project. Materials Data on Li2Mn3WO8 by Materials Project. United States. doi:https://doi.org/10.17188/1696157
The Materials Project. 2020. "Materials Data on Li2Mn3WO8 by Materials Project". United States. doi:https://doi.org/10.17188/1696157. https://www.osti.gov/servlets/purl/1696157. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1696157,
title = {Materials Data on Li2Mn3WO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2WMn3O8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent WO6 octahedra and corners with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 55–62°. There are three shorter (2.04 Å) and one longer (2.13 Å) Li–O bond lengths. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent MnO6 octahedra. All W–O bond lengths are 1.97 Å. Mn+2.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent WO6 octahedra, and edges with four equivalent MnO6 octahedra. There are two shorter (2.00 Å) and four longer (2.18 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent Mn+2.67+ atoms to form corner-sharing OLiMn3 tetrahedra. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one W6+, and two equivalent Mn+2.67+ atoms.},
doi = {10.17188/1696157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}