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Title: Materials Data on Li5Mg by Materials Project

Abstract

Li5Mg crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to ten Li and two equivalent Mg atoms to form LiLi10Mg2 cuboctahedra that share corners with eighteen equivalent LiLi10Mg2 cuboctahedra, edges with four equivalent MgLi12 cuboctahedra, edges with fourteen LiLi10Mg2 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with sixteen LiLi10Mg2 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.04–3.06 Å. Both Li–Mg bond lengths are 3.06 Å. In the second Li site, Li is bonded to nine Li and three equivalent Mg atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent MgLi12 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with eighteen LiLi10Mg2 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with sixteen LiLi10Mg2 cuboctahedra. All Li–Li bond lengths are 3.04 Å. All Li–Mg bond lengths are 3.04 Å. Mg is bonded to twelve Li atoms to form MgLi12 cuboctahedra that share corners with six equivalent MgLi12 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent MgLi12 cuboctahedra, edges with twelve equivalent LiLi10Mg2 cuboctahedra, and faces with twenty LiLi10Mg2 cuboctahedra.

Publication Date:
Other Number(s):
mp-981935
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; Li5Mg; Li-Mg
OSTI Identifier:
1316376
DOI:
https://doi.org/10.17188/1316376

Citation Formats

The Materials Project. Materials Data on Li5Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316376.
The Materials Project. Materials Data on Li5Mg by Materials Project. United States. doi:https://doi.org/10.17188/1316376
The Materials Project. 2020. "Materials Data on Li5Mg by Materials Project". United States. doi:https://doi.org/10.17188/1316376. https://www.osti.gov/servlets/purl/1316376. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1316376,
title = {Materials Data on Li5Mg by Materials Project},
author = {The Materials Project},
abstractNote = {Li5Mg crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to ten Li and two equivalent Mg atoms to form LiLi10Mg2 cuboctahedra that share corners with eighteen equivalent LiLi10Mg2 cuboctahedra, edges with four equivalent MgLi12 cuboctahedra, edges with fourteen LiLi10Mg2 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with sixteen LiLi10Mg2 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.04–3.06 Å. Both Li–Mg bond lengths are 3.06 Å. In the second Li site, Li is bonded to nine Li and three equivalent Mg atoms to form LiLi9Mg3 cuboctahedra that share corners with six equivalent MgLi12 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with eighteen LiLi10Mg2 cuboctahedra, faces with four equivalent MgLi12 cuboctahedra, and faces with sixteen LiLi10Mg2 cuboctahedra. All Li–Li bond lengths are 3.04 Å. All Li–Mg bond lengths are 3.04 Å. Mg is bonded to twelve Li atoms to form MgLi12 cuboctahedra that share corners with six equivalent MgLi12 cuboctahedra, corners with twelve equivalent LiLi9Mg3 cuboctahedra, edges with six equivalent MgLi12 cuboctahedra, edges with twelve equivalent LiLi10Mg2 cuboctahedra, and faces with twenty LiLi10Mg2 cuboctahedra.},
doi = {10.17188/1316376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}