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Title: Materials Data on LiScI3 by Materials Project

Abstract

LiScI3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent ScI6 octahedra, edges with three equivalent ScI6 octahedra, and faces with two equivalent LiI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–I bond lengths are 3.00 Å. Sc2+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent LiI6 octahedra, edges with three equivalent LiI6 octahedra, and faces with two equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–I bond lengths are 2.98 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sc2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28835
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; LiScI3; I-Li-Sc
OSTI Identifier:
1202880
DOI:
https://doi.org/10.17188/1202880

Citation Formats

The Materials Project. Materials Data on LiScI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202880.
The Materials Project. Materials Data on LiScI3 by Materials Project. United States. doi:https://doi.org/10.17188/1202880
The Materials Project. 2020. "Materials Data on LiScI3 by Materials Project". United States. doi:https://doi.org/10.17188/1202880. https://www.osti.gov/servlets/purl/1202880. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1202880,
title = {Materials Data on LiScI3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiScI3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent ScI6 octahedra, edges with three equivalent ScI6 octahedra, and faces with two equivalent LiI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–I bond lengths are 3.00 Å. Sc2+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent LiI6 octahedra, edges with three equivalent LiI6 octahedra, and faces with two equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–I bond lengths are 2.98 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sc2+ atoms.},
doi = {10.17188/1202880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}