U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiYb3 by Materials Project
Abstract
LiYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Yb atoms to form LiYb12 cuboctahedra that share corners with six equivalent LiYb12 cuboctahedra, corners with twelve equivalent YbLi4Yb8 cuboctahedra, edges with eighteen equivalent YbLi4Yb8 cuboctahedra, faces with eight equivalent LiYb12 cuboctahedra, and faces with twelve equivalent YbLi4Yb8 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.72 Å) Li–Yb bond lengths. Yb is bonded to four equivalent Li and eight equivalent Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with four equivalent LiYb12 cuboctahedra, corners with fourteen equivalent YbLi4Yb8 cuboctahedra, edges with six equivalent LiYb12 cuboctahedra, edges with twelve equivalent YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with sixteen equivalent YbLi4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.68–3.77 Å.
- Publication Date:
- Other Number(s):
- mp-1185470
- 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; Li-Yb; LiYb3; crystal structure
- OSTI Identifier:
- 1729594
- DOI:
- https://doi.org/10.17188/1729594
Citation Formats
Materials Data on LiYb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729594.
Materials Data on LiYb3 by Materials Project. United States. doi:https://doi.org/10.17188/1729594
2020.
"Materials Data on LiYb3 by Materials Project". United States. doi:https://doi.org/10.17188/1729594. https://www.osti.gov/servlets/purl/1729594. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1729594,
title = {Materials Data on LiYb3 by Materials Project},
abstractNote = {LiYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Yb atoms to form LiYb12 cuboctahedra that share corners with six equivalent LiYb12 cuboctahedra, corners with twelve equivalent YbLi4Yb8 cuboctahedra, edges with eighteen equivalent YbLi4Yb8 cuboctahedra, faces with eight equivalent LiYb12 cuboctahedra, and faces with twelve equivalent YbLi4Yb8 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.72 Å) Li–Yb bond lengths. Yb is bonded to four equivalent Li and eight equivalent Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with four equivalent LiYb12 cuboctahedra, corners with fourteen equivalent YbLi4Yb8 cuboctahedra, edges with six equivalent LiYb12 cuboctahedra, edges with twelve equivalent YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with sixteen equivalent YbLi4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.68–3.77 Å.},
doi = {10.17188/1729594},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}