U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbGd3 by Materials Project
Abstract
YbGd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Gd atoms to form YbGd12 cuboctahedra that share corners with six equivalent YbGd12 cuboctahedra, corners with twelve GdYb4Gd8 cuboctahedra, edges with eighteen GdYb4Gd8 cuboctahedra, faces with eight equivalent YbGd12 cuboctahedra, and faces with twelve GdYb4Gd8 cuboctahedra. There are six shorter (3.35 Å) and six longer (3.44 Å) Yb–Gd bond lengths. There are three inequivalent Gd sites. In the first Gd site, Gd is bonded to four equivalent Yb and eight Gd atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent YbGd12 cuboctahedra, corners with fourteen GdYb4Gd8 cuboctahedra, edges with six equivalent YbGd12 cuboctahedra, edges with twelve GdYb4Gd8 cuboctahedra, faces with four equivalent YbGd12 cuboctahedra, and faces with sixteen GdYb4Gd8 cuboctahedra. There are a spread of Gd–Gd bond distances ranging from 3.32–3.49 Å. In the second Gd site, Gd is bonded to four equivalent Yb and eight Gd atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent YbGd12 cuboctahedra, corners with fourteen GdYb4Gd8 cuboctahedra, edges with six equivalent YbGd12 cuboctahedra, edges with twelve GdYb4Gd8 cuboctahedra, faces with four equivalent YbGd12 cuboctahedra, and faces with sixteenmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1188067
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; YbGd3; Gd-Yb
- OSTI Identifier:
- 1724880
- DOI:
- https://doi.org/10.17188/1724880
Citation Formats
The Materials Project. Materials Data on YbGd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1724880.
The Materials Project. Materials Data on YbGd3 by Materials Project. United States. doi:https://doi.org/10.17188/1724880
The Materials Project. 2020.
"Materials Data on YbGd3 by Materials Project". United States. doi:https://doi.org/10.17188/1724880. https://www.osti.gov/servlets/purl/1724880. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1724880,
title = {Materials Data on YbGd3 by Materials Project},
author = {The Materials Project},
abstractNote = {YbGd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Gd atoms to form YbGd12 cuboctahedra that share corners with six equivalent YbGd12 cuboctahedra, corners with twelve GdYb4Gd8 cuboctahedra, edges with eighteen GdYb4Gd8 cuboctahedra, faces with eight equivalent YbGd12 cuboctahedra, and faces with twelve GdYb4Gd8 cuboctahedra. There are six shorter (3.35 Å) and six longer (3.44 Å) Yb–Gd bond lengths. There are three inequivalent Gd sites. In the first Gd site, Gd is bonded to four equivalent Yb and eight Gd atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent YbGd12 cuboctahedra, corners with fourteen GdYb4Gd8 cuboctahedra, edges with six equivalent YbGd12 cuboctahedra, edges with twelve GdYb4Gd8 cuboctahedra, faces with four equivalent YbGd12 cuboctahedra, and faces with sixteen GdYb4Gd8 cuboctahedra. There are a spread of Gd–Gd bond distances ranging from 3.32–3.49 Å. In the second Gd site, Gd is bonded to four equivalent Yb and eight Gd atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent YbGd12 cuboctahedra, corners with fourteen GdYb4Gd8 cuboctahedra, edges with six equivalent YbGd12 cuboctahedra, edges with twelve GdYb4Gd8 cuboctahedra, faces with four equivalent YbGd12 cuboctahedra, and faces with sixteen GdYb4Gd8 cuboctahedra. There are a spread of Gd–Gd bond distances ranging from 3.32–3.49 Å. In the third Gd site, Gd is bonded to four equivalent Yb and eight Gd atoms to form GdYb4Gd8 cuboctahedra that share corners with four equivalent YbGd12 cuboctahedra, corners with fourteen GdYb4Gd8 cuboctahedra, edges with six equivalent YbGd12 cuboctahedra, edges with twelve GdYb4Gd8 cuboctahedra, faces with four equivalent YbGd12 cuboctahedra, and faces with sixteen GdYb4Gd8 cuboctahedra.},
doi = {10.17188/1724880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}