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Title: Materials Data on Li3Sc by Materials Project

Abstract

Li3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to eight Li and four equivalent Sc atoms. There are a spread of Li–Li bond distances ranging from 3.01–3.22 Å. There are two shorter (3.09 Å) and two longer (3.12 Å) Li–Sc bond lengths. In the second Li site, Li is bonded in a 12-coordinate geometry to eight equivalent Li and four equivalent Sc atoms. There are two shorter (3.09 Å) and two longer (3.12 Å) Li–Sc bond lengths. Sc is bonded to twelve Li atoms to form a mixture of corner and face-sharing ScLi12 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1185268
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; Li3Sc; Li-Sc
OSTI Identifier:
1687832
DOI:
https://doi.org/10.17188/1687832

Citation Formats

The Materials Project. Materials Data on Li3Sc by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687832.
The Materials Project. Materials Data on Li3Sc by Materials Project. United States. doi:https://doi.org/10.17188/1687832
The Materials Project. 2020. "Materials Data on Li3Sc by Materials Project". United States. doi:https://doi.org/10.17188/1687832. https://www.osti.gov/servlets/purl/1687832. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1687832,
title = {Materials Data on Li3Sc by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to eight Li and four equivalent Sc atoms. There are a spread of Li–Li bond distances ranging from 3.01–3.22 Å. There are two shorter (3.09 Å) and two longer (3.12 Å) Li–Sc bond lengths. In the second Li site, Li is bonded in a 12-coordinate geometry to eight equivalent Li and four equivalent Sc atoms. There are two shorter (3.09 Å) and two longer (3.12 Å) Li–Sc bond lengths. Sc is bonded to twelve Li atoms to form a mixture of corner and face-sharing ScLi12 cuboctahedra.},
doi = {10.17188/1687832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}