U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb3Zr by Materials Project
Abstract
Yb3Zr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Zr atoms to form distorted YbYb8Zr4 cuboctahedra that share corners with four equivalent ZrYb12 cuboctahedra, corners with fourteen equivalent YbYb8Zr4 cuboctahedra, edges with six equivalent ZrYb12 cuboctahedra, edges with twelve equivalent YbYb8Zr4 cuboctahedra, faces with four equivalent ZrYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Zr4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.48–3.80 Å. There are two shorter (3.53 Å) and two longer (3.64 Å) Yb–Zr bond lengths. Zr is bonded to twelve equivalent Yb atoms to form ZrYb12 cuboctahedra that share corners with six equivalent ZrYb12 cuboctahedra, corners with twelve equivalent YbYb8Zr4 cuboctahedra, edges with eighteen equivalent YbYb8Zr4 cuboctahedra, faces with eight equivalent ZrYb12 cuboctahedra, and faces with twelve equivalent YbYb8Zr4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1187996
- 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; Yb-Zr; Yb3Zr; crystal structure
- OSTI Identifier:
- 1653146
- DOI:
- https://doi.org/10.17188/1653146
Citation Formats
Materials Data on Yb3Zr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1653146.
Materials Data on Yb3Zr by Materials Project. United States. doi:https://doi.org/10.17188/1653146
2020.
"Materials Data on Yb3Zr by Materials Project". United States. doi:https://doi.org/10.17188/1653146. https://www.osti.gov/servlets/purl/1653146. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1653146,
title = {Materials Data on Yb3Zr by Materials Project},
abstractNote = {Yb3Zr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Zr atoms to form distorted YbYb8Zr4 cuboctahedra that share corners with four equivalent ZrYb12 cuboctahedra, corners with fourteen equivalent YbYb8Zr4 cuboctahedra, edges with six equivalent ZrYb12 cuboctahedra, edges with twelve equivalent YbYb8Zr4 cuboctahedra, faces with four equivalent ZrYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Zr4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.48–3.80 Å. There are two shorter (3.53 Å) and two longer (3.64 Å) Yb–Zr bond lengths. Zr is bonded to twelve equivalent Yb atoms to form ZrYb12 cuboctahedra that share corners with six equivalent ZrYb12 cuboctahedra, corners with twelve equivalent YbYb8Zr4 cuboctahedra, edges with eighteen equivalent YbYb8Zr4 cuboctahedra, faces with eight equivalent ZrYb12 cuboctahedra, and faces with twelve equivalent YbYb8Zr4 cuboctahedra.},
doi = {10.17188/1653146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}