U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb5Au4 by Materials Project
Abstract
Yb5Au4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Yb–Au bond distances ranging from 3.08–3.71 Å. In the second Yb site, Yb is bonded to six Au atoms to form a mixture of distorted edge, face, and corner-sharing YbAu6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 37–41°. There are a spread of Yb–Au bond distances ranging from 2.96–3.08 Å. In the third Yb site, Yb is bonded to six Au atoms to form a mixture of face and corner-sharing YbAu6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Yb–Au bond distances ranging from 2.99–3.19 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to eight Yb and one Au atom. The Au–Au bond length is 2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to eight Yb and one Au atom. In the third Au site, Au is bonded in a 7-coordinate geometry to eight Yb atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-570527
- 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; Yb5Au4; Au-Yb
- OSTI Identifier:
- 1275755
- DOI:
- https://doi.org/10.17188/1275755
Citation Formats
The Materials Project. Materials Data on Yb5Au4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275755.
The Materials Project. Materials Data on Yb5Au4 by Materials Project. United States. doi:https://doi.org/10.17188/1275755
The Materials Project. 2020.
"Materials Data on Yb5Au4 by Materials Project". United States. doi:https://doi.org/10.17188/1275755. https://www.osti.gov/servlets/purl/1275755. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275755,
title = {Materials Data on Yb5Au4 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb5Au4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to seven Au atoms. There are a spread of Yb–Au bond distances ranging from 3.08–3.71 Å. In the second Yb site, Yb is bonded to six Au atoms to form a mixture of distorted edge, face, and corner-sharing YbAu6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 37–41°. There are a spread of Yb–Au bond distances ranging from 2.96–3.08 Å. In the third Yb site, Yb is bonded to six Au atoms to form a mixture of face and corner-sharing YbAu6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Yb–Au bond distances ranging from 2.99–3.19 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to eight Yb and one Au atom. The Au–Au bond length is 2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to eight Yb and one Au atom. In the third Au site, Au is bonded in a 7-coordinate geometry to eight Yb atoms.},
doi = {10.17188/1275755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}