U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbPr3 by Materials Project
Abstract
YbPr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Pr atoms to form YbPr12 cuboctahedra that share corners with six equivalent YbPr12 cuboctahedra, corners with twelve PrYb4Pr8 cuboctahedra, edges with eighteen PrYb4Pr8 cuboctahedra, faces with eight equivalent YbPr12 cuboctahedra, and faces with twelve PrYb4Pr8 cuboctahedra. There are six shorter (3.72 Å) and six longer (3.74 Å) Yb–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Yb and eight Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with four equivalent YbPr12 cuboctahedra, corners with fourteen PrYb4Pr8 cuboctahedra, edges with six equivalent YbPr12 cuboctahedra, edges with twelve PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with sixteen PrYb4Pr8 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.78 Å. In the second Pr site, Pr is bonded to four equivalent Yb and eight Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with four equivalent YbPr12 cuboctahedra, corners with fourteen PrYb4Pr8 cuboctahedra, edges with six equivalent YbPr12 cuboctahedra, edges with twelve PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with sixteen PrYb4Pr8more »
- Publication Date:
- Other Number(s):
- mp-1187548
- 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; Pr-Yb; YbPr3; crystal structure
- OSTI Identifier:
- 1708099
- DOI:
- https://doi.org/10.17188/1708099
Citation Formats
Materials Data on YbPr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708099.
Materials Data on YbPr3 by Materials Project. United States. doi:https://doi.org/10.17188/1708099
2020.
"Materials Data on YbPr3 by Materials Project". United States. doi:https://doi.org/10.17188/1708099. https://www.osti.gov/servlets/purl/1708099. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708099,
title = {Materials Data on YbPr3 by Materials Project},
abstractNote = {YbPr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Pr atoms to form YbPr12 cuboctahedra that share corners with six equivalent YbPr12 cuboctahedra, corners with twelve PrYb4Pr8 cuboctahedra, edges with eighteen PrYb4Pr8 cuboctahedra, faces with eight equivalent YbPr12 cuboctahedra, and faces with twelve PrYb4Pr8 cuboctahedra. There are six shorter (3.72 Å) and six longer (3.74 Å) Yb–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Yb and eight Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with four equivalent YbPr12 cuboctahedra, corners with fourteen PrYb4Pr8 cuboctahedra, edges with six equivalent YbPr12 cuboctahedra, edges with twelve PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with sixteen PrYb4Pr8 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.78 Å. In the second Pr site, Pr is bonded to four equivalent Yb and eight Pr atoms to form PrYb4Pr8 cuboctahedra that share corners with four equivalent YbPr12 cuboctahedra, corners with fourteen PrYb4Pr8 cuboctahedra, edges with six equivalent YbPr12 cuboctahedra, edges with twelve PrYb4Pr8 cuboctahedra, faces with four equivalent YbPr12 cuboctahedra, and faces with sixteen PrYb4Pr8 cuboctahedra. There are a spread of Pr–Pr bond distances ranging from 3.70–3.78 Å.},
doi = {10.17188/1708099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}