U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb3Cu11Si4 by Materials Project
Abstract
Yb3Cu11Si4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to ten Cu and five Si atoms. There are a spread of Yb–Cu bond distances ranging from 2.89–3.02 Å. There are one shorter (2.85 Å) and four longer (3.09 Å) Yb–Si bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Yb, six Cu, and three Si atoms. There are a spread of Cu–Cu bond distances ranging from 2.67–2.75 Å. There are one shorter (2.56 Å) and two longer (2.65 Å) Cu–Si bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Yb, eight Cu, and two equivalent Si atoms. There are two shorter (2.55 Å) and two longer (2.57 Å) Cu–Cu bond lengths. Both Cu–Si bond lengths are 2.35 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Yb, six Cu, and three equivalent Si atoms. All Cu–Si bond lengths are 2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to threemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207653
- 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; Yb3Cu11Si4; Cu-Si-Yb
- OSTI Identifier:
- 1714891
- DOI:
- https://doi.org/10.17188/1714891
Citation Formats
The Materials Project. Materials Data on Yb3Cu11Si4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1714891.
The Materials Project. Materials Data on Yb3Cu11Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1714891
The Materials Project. 2019.
"Materials Data on Yb3Cu11Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1714891. https://www.osti.gov/servlets/purl/1714891. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1714891,
title = {Materials Data on Yb3Cu11Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Yb3Cu11Si4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to ten Cu and five Si atoms. There are a spread of Yb–Cu bond distances ranging from 2.89–3.02 Å. There are one shorter (2.85 Å) and four longer (3.09 Å) Yb–Si bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Yb, six Cu, and three Si atoms. There are a spread of Cu–Cu bond distances ranging from 2.67–2.75 Å. There are one shorter (2.56 Å) and two longer (2.65 Å) Cu–Si bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Yb, eight Cu, and two equivalent Si atoms. There are two shorter (2.55 Å) and two longer (2.57 Å) Cu–Cu bond lengths. Both Cu–Si bond lengths are 2.35 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Yb, six Cu, and three equivalent Si atoms. All Cu–Si bond lengths are 2.40 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Cu atoms. In the second Si site, Si is bonded to four equivalent Yb and eight Cu atoms to form a mixture of face and corner-sharing SiYb4Cu8 cuboctahedra.},
doi = {10.17188/1714891},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}