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Title: Materials Data on LiHoSe2 by Materials Project

Abstract

LiHoSe2 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 HoSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Se bond lengths are 2.84 Å. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–Se bond lengths are 2.86 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Ho3+ atoms to form a mixture of corner and edge-sharing SeLi3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-15796
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; LiHoSe2; Ho-Li-Se
OSTI Identifier:
1191384
DOI:
https://doi.org/10.17188/1191384

Citation Formats

The Materials Project. Materials Data on LiHoSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191384.
The Materials Project. Materials Data on LiHoSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1191384
The Materials Project. 2020. "Materials Data on LiHoSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1191384. https://www.osti.gov/servlets/purl/1191384. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1191384,
title = {Materials Data on LiHoSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiHoSe2 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 HoSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Se bond lengths are 2.84 Å. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–Se bond lengths are 2.86 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Ho3+ atoms to form a mixture of corner and edge-sharing SeLi3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1191384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}