U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2CuSn by Materials Project
Abstract
Li2CuSn is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu and six equivalent Sn atoms to form distorted LiCu4Sn6 tetrahedra that share corners with six equivalent LiCu4Sn6 tetrahedra, edges with twelve equivalent LiCu6Sn4 tetrahedra, and faces with sixteen LiCu4Sn6 tetrahedra. All Li–Cu bond lengths are 2.72 Å. All Li–Sn bond lengths are 3.15 Å. In the second Li site, Li is bonded to six equivalent Cu and four equivalent Sn atoms to form distorted LiCu6Sn4 tetrahedra that share corners with six equivalent LiCu6Sn4 tetrahedra, edges with twelve equivalent LiCu4Sn6 tetrahedra, and faces with sixteen LiCu4Sn6 tetrahedra. All Li–Cu bond lengths are 3.15 Å. All Li–Sn bond lengths are 2.72 Å. Cu is bonded in a 4-coordinate geometry to ten Li and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.72 Å. Sn is bonded in a 4-coordinate geometry to ten Li and four equivalent Cu atoms.
- Publication Date:
- Other Number(s):
- mp-30591
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-Li-Sn; Li2CuSn; crystal structure
- OSTI Identifier:
- 1204978
- DOI:
- https://doi.org/10.17188/1204978
Citation Formats
Materials Data on Li2CuSn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204978.
Materials Data on Li2CuSn by Materials Project. United States. doi:https://doi.org/10.17188/1204978
2020.
"Materials Data on Li2CuSn by Materials Project". United States. doi:https://doi.org/10.17188/1204978. https://www.osti.gov/servlets/purl/1204978. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1204978,
title = {Materials Data on Li2CuSn by Materials Project},
abstractNote = {Li2CuSn is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Cu and six equivalent Sn atoms to form distorted LiCu4Sn6 tetrahedra that share corners with six equivalent LiCu4Sn6 tetrahedra, edges with twelve equivalent LiCu6Sn4 tetrahedra, and faces with sixteen LiCu4Sn6 tetrahedra. All Li–Cu bond lengths are 2.72 Å. All Li–Sn bond lengths are 3.15 Å. In the second Li site, Li is bonded to six equivalent Cu and four equivalent Sn atoms to form distorted LiCu6Sn4 tetrahedra that share corners with six equivalent LiCu6Sn4 tetrahedra, edges with twelve equivalent LiCu4Sn6 tetrahedra, and faces with sixteen LiCu4Sn6 tetrahedra. All Li–Cu bond lengths are 3.15 Å. All Li–Sn bond lengths are 2.72 Å. Cu is bonded in a 4-coordinate geometry to ten Li and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.72 Å. Sn is bonded in a 4-coordinate geometry to ten Li and four equivalent Cu atoms.},
doi = {10.17188/1204978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}