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Title: Materials Data on Li15Si4 by Materials Project

Abstract

Li15Si4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to two equivalent Li and three equivalent Si atoms. There are one shorter (2.73 Å) and one longer (2.79 Å) Li–Li bond lengths. There are a spread of Li–Si bond distances ranging from 2.61–2.81 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Si atoms to form LiLi8Si4 cuboctahedra that share corners with eight equivalent SiLi12 cuboctahedra, edges with eight equivalent LiLi8Si4 cuboctahedra, and faces with four equivalent SiLi12 cuboctahedra. All Li–Si bond lengths are 2.86 Å. Si is bonded to twelve Li atoms to form distorted SiLi12 cuboctahedra that share corners with six equivalent LiLi8Si4 cuboctahedra, edges with six equivalent SiLi12 cuboctahedra, faces with three equivalent LiLi8Si4 cuboctahedra, and faces with five equivalent SiLi12 cuboctahedra.

Publication Date:
Other Number(s):
mp-569849
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; Li15Si4; Li-Si
OSTI Identifier:
1275294
DOI:
10.17188/1275294

Citation Formats

The Materials Project. Materials Data on Li15Si4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275294.
The Materials Project. Materials Data on Li15Si4 by Materials Project. United States. doi:10.17188/1275294.
The Materials Project. 2020. "Materials Data on Li15Si4 by Materials Project". United States. doi:10.17188/1275294. https://www.osti.gov/servlets/purl/1275294. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275294,
title = {Materials Data on Li15Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li15Si4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to two equivalent Li and three equivalent Si atoms. There are one shorter (2.73 Å) and one longer (2.79 Å) Li–Li bond lengths. There are a spread of Li–Si bond distances ranging from 2.61–2.81 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Si atoms to form LiLi8Si4 cuboctahedra that share corners with eight equivalent SiLi12 cuboctahedra, edges with eight equivalent LiLi8Si4 cuboctahedra, and faces with four equivalent SiLi12 cuboctahedra. All Li–Si bond lengths are 2.86 Å. Si is bonded to twelve Li atoms to form distorted SiLi12 cuboctahedra that share corners with six equivalent LiLi8Si4 cuboctahedra, edges with six equivalent SiLi12 cuboctahedra, faces with three equivalent LiLi8Si4 cuboctahedra, and faces with five equivalent SiLi12 cuboctahedra.},
doi = {10.17188/1275294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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