U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3Cd by Materials Project
Abstract
Li3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Li and four equivalent Cd atoms to form distorted LiLi8Cd4 cuboctahedra that share corners with twelve equivalent LiLi8Cd4 cuboctahedra, edges with eight equivalent LiLi8Cd4 cuboctahedra, edges with eight equivalent CdLi12 cuboctahedra, faces with four equivalent CdLi12 cuboctahedra, and faces with ten equivalent LiLi8Cd4 cuboctahedra. There are four shorter (2.92 Å) and four longer (3.01 Å) Li–Li bond lengths. All Li–Cd bond lengths are 3.01 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to eight equivalent Li and four equivalent Cd atoms. All Li–Cd bond lengths are 2.92 Å. Cd is bonded to twelve Li atoms to form CdLi12 cuboctahedra that share corners with four equivalent CdLi12 cuboctahedra, edges with eight equivalent CdLi12 cuboctahedra, edges with sixteen equivalent LiLi8Cd4 cuboctahedra, faces with four equivalent CdLi12 cuboctahedra, and faces with eight equivalent LiLi8Cd4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-975904
- 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; Cd-Li; crystal structure; Li3Cd
- OSTI Identifier:
- 1314912
- DOI:
- https://doi.org/10.17188/1314912
Citation Formats
Materials Data on Li3Cd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314912.
Materials Data on Li3Cd by Materials Project. United States. doi:https://doi.org/10.17188/1314912
2020.
"Materials Data on Li3Cd by Materials Project". United States. doi:https://doi.org/10.17188/1314912. https://www.osti.gov/servlets/purl/1314912. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1314912,
title = {Materials Data on Li3Cd by Materials Project},
abstractNote = {Li3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to eight Li and four equivalent Cd atoms to form distorted LiLi8Cd4 cuboctahedra that share corners with twelve equivalent LiLi8Cd4 cuboctahedra, edges with eight equivalent LiLi8Cd4 cuboctahedra, edges with eight equivalent CdLi12 cuboctahedra, faces with four equivalent CdLi12 cuboctahedra, and faces with ten equivalent LiLi8Cd4 cuboctahedra. There are four shorter (2.92 Å) and four longer (3.01 Å) Li–Li bond lengths. All Li–Cd bond lengths are 3.01 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to eight equivalent Li and four equivalent Cd atoms. All Li–Cd bond lengths are 2.92 Å. Cd is bonded to twelve Li atoms to form CdLi12 cuboctahedra that share corners with four equivalent CdLi12 cuboctahedra, edges with eight equivalent CdLi12 cuboctahedra, edges with sixteen equivalent LiLi8Cd4 cuboctahedra, faces with four equivalent CdLi12 cuboctahedra, and faces with eight equivalent LiLi8Cd4 cuboctahedra.},
doi = {10.17188/1314912},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}