U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy2Cu4Sn5 by Materials Project
Abstract
Dy2Cu4Sn5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to five Cu and eight Sn atoms. There are one shorter (3.01 Å) and four longer (3.11 Å) Dy–Cu bond lengths. There are four shorter (3.19 Å) and four longer (3.25 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to eight Cu and four equivalent Sn atoms. There are four shorter (3.08 Å) and four longer (3.36 Å) Dy–Cu bond lengths. All Dy–Sn bond lengths are 3.35 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted body-centered cubic geometry to four Dy, two equivalent Cu, and two equivalent Sn atoms. Both Cu–Cu bond lengths are 2.41 Å. Both Cu–Sn bond lengths are 2.70 Å. In the second Cu site, Cu is bonded in a 6-coordinate geometry to one Dy and five Cu atoms. The Cu–Cu bond length is 2.32 Å. In the third Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Dy, one Cu, and four equivalent Sn atoms.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1205491
- 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; Dy2Cu4Sn5; Cu-Dy-Sn
- OSTI Identifier:
- 1690608
- DOI:
- https://doi.org/10.17188/1690608
Citation Formats
The Materials Project. Materials Data on Dy2Cu4Sn5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1690608.
The Materials Project. Materials Data on Dy2Cu4Sn5 by Materials Project. United States. doi:https://doi.org/10.17188/1690608
The Materials Project. 2019.
"Materials Data on Dy2Cu4Sn5 by Materials Project". United States. doi:https://doi.org/10.17188/1690608. https://www.osti.gov/servlets/purl/1690608. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1690608,
title = {Materials Data on Dy2Cu4Sn5 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Cu4Sn5 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to five Cu and eight Sn atoms. There are one shorter (3.01 Å) and four longer (3.11 Å) Dy–Cu bond lengths. There are four shorter (3.19 Å) and four longer (3.25 Å) Dy–Sn bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to eight Cu and four equivalent Sn atoms. There are four shorter (3.08 Å) and four longer (3.36 Å) Dy–Cu bond lengths. All Dy–Sn bond lengths are 3.35 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted body-centered cubic geometry to four Dy, two equivalent Cu, and two equivalent Sn atoms. Both Cu–Cu bond lengths are 2.41 Å. Both Cu–Sn bond lengths are 2.70 Å. In the second Cu site, Cu is bonded in a 6-coordinate geometry to one Dy and five Cu atoms. The Cu–Cu bond length is 2.32 Å. In the third Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Dy, one Cu, and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.65 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to two equivalent Dy, two equivalent Cu, and five Sn atoms. There are one shorter (2.90 Å) and four longer (3.18 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 7-coordinate geometry to two equivalent Dy and five Sn atoms. All Sn–Sn bond lengths are 3.18 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Cu atoms.},
doi = {10.17188/1690608},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}