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Title: Materials Data on LiGdSe2 by Materials Project

Abstract

LiGdSe2 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 GdSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.86 Å. Gd3+ is bonded to six equivalent Se2- atoms to form GdSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Gd–Se bond lengths are 2.90 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing SeLi3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-15792
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; LiGdSe2; Gd-Li-Se
OSTI Identifier:
1191380
DOI:
https://doi.org/10.17188/1191380

Citation Formats

The Materials Project. Materials Data on LiGdSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191380.
The Materials Project. Materials Data on LiGdSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1191380
The Materials Project. 2020. "Materials Data on LiGdSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1191380. https://www.osti.gov/servlets/purl/1191380. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1191380,
title = {Materials Data on LiGdSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiGdSe2 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 GdSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.86 Å. Gd3+ is bonded to six equivalent Se2- atoms to form GdSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent GdSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Gd–Se bond lengths are 2.90 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Gd3+ atoms to form a mixture of corner and edge-sharing SeLi3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1191380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}