U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiIn3 by Materials Project
Abstract
LiIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve In atoms to form LiIn12 cuboctahedra that share corners with four equivalent LiIn12 cuboctahedra, edges with eight equivalent LiIn12 cuboctahedra, edges with sixteen equivalent InLi4In8 cuboctahedra, faces with four equivalent LiIn12 cuboctahedra, and faces with eight equivalent InLi4In8 cuboctahedra. There are four shorter (3.17 Å) and eight longer (3.26 Å) Li–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Li and eight In atoms to form distorted InLi4In8 cuboctahedra that share corners with twelve equivalent InLi4In8 cuboctahedra, edges with eight equivalent LiIn12 cuboctahedra, edges with eight equivalent InLi4In8 cuboctahedra, faces with four equivalent LiIn12 cuboctahedra, and faces with ten equivalent InLi4In8 cuboctahedra. There are four shorter (3.17 Å) and four longer (3.26 Å) In–In bond lengths. In the second In site, In is bonded in a distorted square co-planar geometry to four equivalent Li and eight equivalent In atoms.
- Publication Date:
- Other Number(s):
- mp-973748
- 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; In-Li; LiIn3; crystal structure
- OSTI Identifier:
- 1272960
- DOI:
- https://doi.org/10.17188/1272960
Citation Formats
Materials Data on LiIn3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272960.
Materials Data on LiIn3 by Materials Project. United States. doi:https://doi.org/10.17188/1272960
2020.
"Materials Data on LiIn3 by Materials Project". United States. doi:https://doi.org/10.17188/1272960. https://www.osti.gov/servlets/purl/1272960. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1272960,
title = {Materials Data on LiIn3 by Materials Project},
abstractNote = {LiIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve In atoms to form LiIn12 cuboctahedra that share corners with four equivalent LiIn12 cuboctahedra, edges with eight equivalent LiIn12 cuboctahedra, edges with sixteen equivalent InLi4In8 cuboctahedra, faces with four equivalent LiIn12 cuboctahedra, and faces with eight equivalent InLi4In8 cuboctahedra. There are four shorter (3.17 Å) and eight longer (3.26 Å) Li–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Li and eight In atoms to form distorted InLi4In8 cuboctahedra that share corners with twelve equivalent InLi4In8 cuboctahedra, edges with eight equivalent LiIn12 cuboctahedra, edges with eight equivalent InLi4In8 cuboctahedra, faces with four equivalent LiIn12 cuboctahedra, and faces with ten equivalent InLi4In8 cuboctahedra. There are four shorter (3.17 Å) and four longer (3.26 Å) In–In bond lengths. In the second In site, In is bonded in a distorted square co-planar geometry to four equivalent Li and eight equivalent In atoms.},
doi = {10.17188/1272960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}