U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Mg by Materials Project
Abstract
MgLi2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded to nine Li and three Mg atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with eighteen LiLi9Mg3 cuboctahedra, edges with eight LiLi8Mg4 cuboctahedra, edges with ten MgLi8Mg4 cuboctahedra, faces with seven MgLi8Mg4 cuboctahedra, and faces with thirteen LiLi9Mg3 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.05–3.10 Å. There are one shorter (3.06 Å) and two longer (3.07 Å) Li–Mg bond lengths. In the second Li site, Li is bonded to eight Li and four Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent LiLi8Mg4 cuboctahedra, corners with twelve MgLi8Mg4 cuboctahedra, edges with six MgLi8Mg4 cuboctahedra, edges with twelve LiLi9Mg3 cuboctahedra, faces with six MgLi8Mg4 cuboctahedra, and faces with fourteen LiLi9Mg3 cuboctahedra. There are three shorter (3.08 Å) and two longer (3.10 Å) Li–Li bond lengths. There are two shorter (3.01 Å) and two longer (3.03 Å) Li–Mg bond lengths. In the third Li site, Li is bonded to eight Li and four Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with eighteen LiLi9Mg3more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-982380
- 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; Li2Mg; Li-Mg
- OSTI Identifier:
- 1316414
- DOI:
- https://doi.org/10.17188/1316414
Citation Formats
The Materials Project. Materials Data on Li2Mg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316414.
The Materials Project. Materials Data on Li2Mg by Materials Project. United States. doi:https://doi.org/10.17188/1316414
The Materials Project. 2020.
"Materials Data on Li2Mg by Materials Project". United States. doi:https://doi.org/10.17188/1316414. https://www.osti.gov/servlets/purl/1316414. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1316414,
title = {Materials Data on Li2Mg by Materials Project},
author = {The Materials Project},
abstractNote = {MgLi2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded to nine Li and three Mg atoms to form distorted LiLi9Mg3 cuboctahedra that share corners with eighteen LiLi9Mg3 cuboctahedra, edges with eight LiLi8Mg4 cuboctahedra, edges with ten MgLi8Mg4 cuboctahedra, faces with seven MgLi8Mg4 cuboctahedra, and faces with thirteen LiLi9Mg3 cuboctahedra. There are a spread of Li–Li bond distances ranging from 3.05–3.10 Å. There are one shorter (3.06 Å) and two longer (3.07 Å) Li–Mg bond lengths. In the second Li site, Li is bonded to eight Li and four Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with six equivalent LiLi8Mg4 cuboctahedra, corners with twelve MgLi8Mg4 cuboctahedra, edges with six MgLi8Mg4 cuboctahedra, edges with twelve LiLi9Mg3 cuboctahedra, faces with six MgLi8Mg4 cuboctahedra, and faces with fourteen LiLi9Mg3 cuboctahedra. There are three shorter (3.08 Å) and two longer (3.10 Å) Li–Li bond lengths. There are two shorter (3.01 Å) and two longer (3.03 Å) Li–Mg bond lengths. In the third Li site, Li is bonded to eight Li and four Mg atoms to form distorted LiLi8Mg4 cuboctahedra that share corners with eighteen LiLi9Mg3 cuboctahedra, edges with six MgLi8Mg4 cuboctahedra, edges with twelve LiLi9Mg3 cuboctahedra, faces with nine MgLi8Mg4 cuboctahedra, and faces with eleven LiLi9Mg3 cuboctahedra. There are two shorter (3.06 Å) and two longer (3.10 Å) Li–Li bond lengths. There are a spread of Li–Mg bond distances ranging from 3.05–3.11 Å. In the fourth Li site, Li is bonded to seven Li and five Mg atoms to form distorted LiLi7Mg5 cuboctahedra that share corners with eighteen LiLi9Mg3 cuboctahedra, edges with eight MgLi8Mg4 cuboctahedra, edges with ten LiLi9Mg3 cuboctahedra, faces with eight MgLi8Mg4 cuboctahedra, and faces with twelve LiLi9Mg3 cuboctahedra. Both Li–Li bond lengths are 3.10 Å. There are a spread of Li–Mg bond distances ranging from 3.06–3.10 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Li and four Mg atoms to form distorted MgLi8Mg4 cuboctahedra that share corners with six equivalent LiLi8Mg4 cuboctahedra, corners with twelve MgLi8Mg4 cuboctahedra, edges with three equivalent MgLi8Mg4 cuboctahedra, edges with fifteen LiLi9Mg3 cuboctahedra, faces with five MgLi8Mg4 cuboctahedra, and faces with fifteen LiLi9Mg3 cuboctahedra. There are two shorter (3.10 Å) and two longer (3.13 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to eight Li and four Mg atoms to form distorted MgLi8Mg4 cuboctahedra that share corners with six equivalent LiLi8Mg4 cuboctahedra, corners with twelve MgLi8Mg4 cuboctahedra, edges with three equivalent MgLi8Mg4 cuboctahedra, edges with fifteen LiLi9Mg3 cuboctahedra, faces with five MgLi8Mg4 cuboctahedra, and faces with fifteen LiLi9Mg3 cuboctahedra. Both Mg–Mg bond lengths are 3.10 Å.},
doi = {10.17188/1316414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}