U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy3Cu11Si4 by Materials Project
Abstract
Dy3Cu11Si4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to ten Cu and five Si atoms. There are a spread of Dy–Cu bond distances ranging from 2.95–3.00 Å. There are one shorter (2.89 Å) and four longer (3.11 Å) Dy–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 Dy, six Cu, and three Si atoms. There are a spread of Cu–Cu bond distances ranging from 2.67–2.76 Å. There are one shorter (2.62 Å) and two longer (2.65 Å) Cu–Si bond lengths. In the second Cu site, Cu is bonded to two equivalent Dy, eight Cu, and two equivalent Si atoms to form distorted CuDy2Cu8Si2 cuboctahedra that share corners with four equivalent CuDy2Cu8Si2 cuboctahedra, corners with four equivalent SiDy4Cu8 cuboctahedra, faces with two equivalent CuDy2Cu8Si2 cuboctahedra, and faces with six equivalent SiDy4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.56 Å. Both Cu–Si bond lengths are 2.36 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Dy, six Cu, and three equivalent Si atoms. All Cu–Si bond lengths are 2.43more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212995
- 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; Dy3Cu11Si4; Cu-Dy-Si
- OSTI Identifier:
- 1717150
- DOI:
- https://doi.org/10.17188/1717150
Citation Formats
The Materials Project. Materials Data on Dy3Cu11Si4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1717150.
The Materials Project. Materials Data on Dy3Cu11Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1717150
The Materials Project. 2019.
"Materials Data on Dy3Cu11Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1717150. https://www.osti.gov/servlets/purl/1717150. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717150,
title = {Materials Data on Dy3Cu11Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3Cu11Si4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to ten Cu and five Si atoms. There are a spread of Dy–Cu bond distances ranging from 2.95–3.00 Å. There are one shorter (2.89 Å) and four longer (3.11 Å) Dy–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 Dy, six Cu, and three Si atoms. There are a spread of Cu–Cu bond distances ranging from 2.67–2.76 Å. There are one shorter (2.62 Å) and two longer (2.65 Å) Cu–Si bond lengths. In the second Cu site, Cu is bonded to two equivalent Dy, eight Cu, and two equivalent Si atoms to form distorted CuDy2Cu8Si2 cuboctahedra that share corners with four equivalent CuDy2Cu8Si2 cuboctahedra, corners with four equivalent SiDy4Cu8 cuboctahedra, faces with two equivalent CuDy2Cu8Si2 cuboctahedra, and faces with six equivalent SiDy4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.56 Å. Both Cu–Si bond lengths are 2.36 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Dy, six Cu, and three equivalent Si atoms. All Cu–Si bond lengths are 2.43 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Cu atoms. In the second Si site, Si is bonded to four equivalent Dy and eight Cu atoms to form SiDy4Cu8 cuboctahedra that share corners with four equivalent CuDy2Cu8Si2 cuboctahedra, corners with four equivalent SiDy4Cu8 cuboctahedra, faces with six equivalent CuDy2Cu8Si2 cuboctahedra, and faces with six equivalent SiDy4Cu8 cuboctahedra.},
doi = {10.17188/1717150},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}