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Title: Materials Data on KLiWO4 by Materials Project

Abstract

KLiWO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. K1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All K–O bond lengths are 3.50 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent WO4 tetrahedra. There is three shorter (1.90 Å) and one longer (1.94 Å) Li–O bond length. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There is three shorter (1.81 Å) and one longer (1.82 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three equivalent K1+, one Li1+, and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one W6+ atom.

Publication Date:
Other Number(s):
mp-1211376
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; KLiWO4; K-Li-O-W
OSTI Identifier:
1729340
DOI:
https://doi.org/10.17188/1729340

Citation Formats

The Materials Project. Materials Data on KLiWO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729340.
The Materials Project. Materials Data on KLiWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1729340
The Materials Project. 2020. "Materials Data on KLiWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1729340. https://www.osti.gov/servlets/purl/1729340. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1729340,
title = {Materials Data on KLiWO4 by Materials Project},
author = {The Materials Project},
abstractNote = {KLiWO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. K1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All K–O bond lengths are 3.50 Å. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent WO4 tetrahedra. There is three shorter (1.90 Å) and one longer (1.94 Å) Li–O bond length. W6+ is bonded to four O2- atoms to form WO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. There is three shorter (1.81 Å) and one longer (1.82 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three equivalent K1+, one Li1+, and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Li1+ and one W6+ atom.},
doi = {10.17188/1729340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}