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Title: Materials Data on Li12(WO4)7 by Materials Project

Abstract

Li12(WO4)7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 2.00–2.52 Å. There are two inequivalent W sites. In the first W site, W is bonded to six O atoms to form distorted edge-sharing WO6 octahedra. There are three shorter (1.83 Å) and three longer (2.17 Å) W–O bond lengths. In the second W site, W is bonded in a tetrahedral geometry to four equivalent O atoms. All W–O bond lengths are 1.82 Å. There are three inequivalent O sites. In the first O site, O is bonded in a see-saw-like geometry to three equivalent Li and one W atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one W atom. In the third O site, O is bonded to three equivalent Li and three equivalent W atoms to form distorted edge-sharing OLi3W3 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1210972
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; Li12(WO4)7; Li-O-W
OSTI Identifier:
1718424
DOI:
https://doi.org/10.17188/1718424

Citation Formats

The Materials Project. Materials Data on Li12(WO4)7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718424.
The Materials Project. Materials Data on Li12(WO4)7 by Materials Project. United States. doi:https://doi.org/10.17188/1718424
The Materials Project. 2020. "Materials Data on Li12(WO4)7 by Materials Project". United States. doi:https://doi.org/10.17188/1718424. https://www.osti.gov/servlets/purl/1718424. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1718424,
title = {Materials Data on Li12(WO4)7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li12(WO4)7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 2.00–2.52 Å. There are two inequivalent W sites. In the first W site, W is bonded to six O atoms to form distorted edge-sharing WO6 octahedra. There are three shorter (1.83 Å) and three longer (2.17 Å) W–O bond lengths. In the second W site, W is bonded in a tetrahedral geometry to four equivalent O atoms. All W–O bond lengths are 1.82 Å. There are three inequivalent O sites. In the first O site, O is bonded in a see-saw-like geometry to three equivalent Li and one W atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one W atom. In the third O site, O is bonded to three equivalent Li and three equivalent W atoms to form distorted edge-sharing OLi3W3 octahedra.},
doi = {10.17188/1718424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}