U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiSn3 by Materials Project
Abstract
LiSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Sn atoms to form LiSn12 cuboctahedra that share corners with four equivalent LiSn12 cuboctahedra, edges with eight equivalent LiSn12 cuboctahedra, edges with sixteen equivalent SnLi4Sn8 cuboctahedra, faces with four equivalent LiSn12 cuboctahedra, and faces with eight equivalent SnLi4Sn8 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.32 Å) Li–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Li and eight Sn atoms to form distorted SnLi4Sn8 cuboctahedra that share corners with twelve equivalent SnLi4Sn8 cuboctahedra, edges with eight equivalent LiSn12 cuboctahedra, edges with eight equivalent SnLi4Sn8 cuboctahedra, faces with four equivalent LiSn12 cuboctahedra, and faces with ten equivalent SnLi4Sn8 cuboctahedra. There are four shorter (3.24 Å) and four longer (3.32 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Li and eight equivalent Sn atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1185461
- 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; LiSn3; Li-Sn
- OSTI Identifier:
- 1746913
- DOI:
- https://doi.org/10.17188/1746913
Citation Formats
The Materials Project. Materials Data on LiSn3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746913.
The Materials Project. Materials Data on LiSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1746913
The Materials Project. 2020.
"Materials Data on LiSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1746913. https://www.osti.gov/servlets/purl/1746913. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746913,
title = {Materials Data on LiSn3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Sn atoms to form LiSn12 cuboctahedra that share corners with four equivalent LiSn12 cuboctahedra, edges with eight equivalent LiSn12 cuboctahedra, edges with sixteen equivalent SnLi4Sn8 cuboctahedra, faces with four equivalent LiSn12 cuboctahedra, and faces with eight equivalent SnLi4Sn8 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.32 Å) Li–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Li and eight Sn atoms to form distorted SnLi4Sn8 cuboctahedra that share corners with twelve equivalent SnLi4Sn8 cuboctahedra, edges with eight equivalent LiSn12 cuboctahedra, edges with eight equivalent SnLi4Sn8 cuboctahedra, faces with four equivalent LiSn12 cuboctahedra, and faces with ten equivalent SnLi4Sn8 cuboctahedra. There are four shorter (3.24 Å) and four longer (3.32 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Li and eight equivalent Sn atoms.},
doi = {10.17188/1746913},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}