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Title: Materials Data on Li2Mg by Materials Project

Abstract

MgLi2 crystallizes in the monoclinic C2/m 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 four equivalent Li and four equivalent Mg atoms. There are two shorter (2.98 Å) and two longer (3.01 Å) Li–Li bond lengths. There are two shorter (3.00 Å) and two longer (3.05 Å) Li–Mg bond lengths. In the second Li site, Li is bonded in a 12-coordinate geometry to six Li and three equivalent Mg atoms. Both Li–Li bond lengths are 2.99 Å. There are two shorter (3.04 Å) and one longer (3.21 Å) Li–Mg bond lengths. Mg is bonded to seven Li and five equivalent Mg atoms to form a mixture of distorted face, edge, and corner-sharing MgLi7Mg5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.21 Å.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1315377
Report Number(s):
mp-976843
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Li2Mg; Li-Mg

Citation Formats

The Materials Project. Materials Data on Li2Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315377.
The Materials Project. Materials Data on Li2Mg by Materials Project. United States. https://doi.org/10.17188/1315377
The Materials Project. 2020. "Materials Data on Li2Mg by Materials Project". United States. https://doi.org/10.17188/1315377. https://www.osti.gov/servlets/purl/1315377.
@article{osti_1315377,
title = {Materials Data on Li2Mg by Materials Project},
author = {The Materials Project},
abstractNote = {MgLi2 crystallizes in the monoclinic C2/m 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 four equivalent Li and four equivalent Mg atoms. There are two shorter (2.98 Å) and two longer (3.01 Å) Li–Li bond lengths. There are two shorter (3.00 Å) and two longer (3.05 Å) Li–Mg bond lengths. In the second Li site, Li is bonded in a 12-coordinate geometry to six Li and three equivalent Mg atoms. Both Li–Li bond lengths are 2.99 Å. There are two shorter (3.04 Å) and one longer (3.21 Å) Li–Mg bond lengths. Mg is bonded to seven Li and five equivalent Mg atoms to form a mixture of distorted face, edge, and corner-sharing MgLi7Mg5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.12–3.21 Å.},
doi = {10.17188/1315377},
url = {https://www.osti.gov/biblio/1315377}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 05 00:00:00 EDT 2020},
month = {Tue May 05 00:00:00 EDT 2020}
}