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Title: Materials Data on LiYSe2 by Materials Project

Abstract

LiYSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.85 Å. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Y–Se bond lengths are 2.87 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing SeLi3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-15794
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; LiYSe2; Li-Se-Y
OSTI Identifier:
1191382
DOI:
10.17188/1191382

Citation Formats

The Materials Project. Materials Data on LiYSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191382.
The Materials Project. Materials Data on LiYSe2 by Materials Project. United States. doi:10.17188/1191382.
The Materials Project. 2020. "Materials Data on LiYSe2 by Materials Project". United States. doi:10.17188/1191382. https://www.osti.gov/servlets/purl/1191382. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1191382,
title = {Materials Data on LiYSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiYSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.85 Å. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Y–Se bond lengths are 2.87 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing SeLi3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1191382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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