Title: Materials Data on KLiSe by Materials Project

Abstract

KLiSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are four shorter (3.38 Å) and one longer (3.44 Å) K–Se bond lengths. Li1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing LiSe4 tetrahedra. All Li–Se bond lengths are 2.67 Å. Se2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Li1+ atoms.

Publication Date:
Other Number(s):
mp-8756
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; K-Li-Se; KLiSe
OSTI Identifier:
1312691
DOI:
https://doi.org/10.17188/1312691

Citation Formats

Materials Data on KLiSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312691.
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Materials Data on KLiSe by Materials Project. United States. doi:https://doi.org/10.17188/1312691
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2020. "Materials Data on KLiSe by Materials Project". United States. doi:https://doi.org/10.17188/1312691. https://www.osti.gov/servlets/purl/1312691. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1312691,
title = {Materials Data on KLiSe by Materials Project},
abstractNote = {KLiSe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are four shorter (3.38 Å) and one longer (3.44 Å) K–Se bond lengths. Li1+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing LiSe4 tetrahedra. All Li–Se bond lengths are 2.67 Å. Se2- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Li1+ atoms.},
doi = {10.17188/1312691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1312691
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