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Title: Materials Data on Li4Mn3WO8 by Materials Project

Abstract

Li4WMn3O8 is Caswellsilverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent WO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Li–O bond lengths are 2.40 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with two equivalent WO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. There are four shorter (2.15 Å) and two longer (2.29 Å) Li–O bond lengths. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All W–O bond lengths are 1.99 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners withmore » six equivalent LiO6 octahedra, edges with two equivalent WO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. There are two shorter (2.10 Å) and four longer (2.25 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn2+ atoms to form OLi3Mn3 octahedra that share corners with six equivalent OLi3Mn3 octahedra and edges with twelve equivalent OLi3Mn2W octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to three Li1+, one W6+, and two equivalent Mn2+ atoms to form OLi3Mn2W octahedra that share corners with six equivalent OLi3Mn2W octahedra and edges with twelve OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-773363
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; Li4Mn3WO8; Li-Mn-O-W
OSTI Identifier:
1301809
DOI:
10.17188/1301809

Citation Formats

The Materials Project. Materials Data on Li4Mn3WO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301809.
The Materials Project. Materials Data on Li4Mn3WO8 by Materials Project. United States. doi:10.17188/1301809.
The Materials Project. 2020. "Materials Data on Li4Mn3WO8 by Materials Project". United States. doi:10.17188/1301809. https://www.osti.gov/servlets/purl/1301809. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1301809,
title = {Materials Data on Li4Mn3WO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li4WMn3O8 is Caswellsilverite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent WO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Li–O bond lengths are 2.40 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with two equivalent WO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. There are four shorter (2.15 Å) and two longer (2.29 Å) Li–O bond lengths. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All W–O bond lengths are 1.99 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with two equivalent WO6 octahedra, edges with four equivalent MnO6 octahedra, and edges with six LiO6 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. There are two shorter (2.10 Å) and four longer (2.25 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Mn2+ atoms to form OLi3Mn3 octahedra that share corners with six equivalent OLi3Mn3 octahedra and edges with twelve equivalent OLi3Mn2W octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to three Li1+, one W6+, and two equivalent Mn2+ atoms to form OLi3Mn2W octahedra that share corners with six equivalent OLi3Mn2W octahedra and edges with twelve OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1301809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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