U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeCu9Sn4 by Materials Project
Abstract
CeCu9Sn4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.52 Å) and eight longer (3.85 Å) Ce–Cu bond lengths. All Ce–Sn bond lengths are 3.56 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ce, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.42–3.10 Å. There are two shorter (2.86 Å) and two longer (2.93 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to eight Cu and four equivalent Sn atoms. All Cu–Cu bond lengths are 2.48 Å. All Cu–Sn bond lengths are 2.60 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ce, eight Cu, and two equivalent Sn atoms. There are two shorter (2.52 Å) and one longer (2.67 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.71 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Ce, seven Cu, and two equivalent Sn atoms. Bothmore »
- Publication Date:
- Other Number(s):
- mp-1215076
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ce-Cu-Sn; CeCu9Sn4; crystal structure
- OSTI Identifier:
- 1719609
- DOI:
- https://doi.org/10.17188/1719609
Citation Formats
Materials Data on CeCu9Sn4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719609.
Materials Data on CeCu9Sn4 by Materials Project. United States. doi:https://doi.org/10.17188/1719609
2020.
"Materials Data on CeCu9Sn4 by Materials Project". United States. doi:https://doi.org/10.17188/1719609. https://www.osti.gov/servlets/purl/1719609. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1719609,
title = {Materials Data on CeCu9Sn4 by Materials Project},
abstractNote = {CeCu9Sn4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to sixteen Cu and eight equivalent Sn atoms. There are eight shorter (3.52 Å) and eight longer (3.85 Å) Ce–Cu bond lengths. All Ce–Sn bond lengths are 3.56 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ce, six Cu, and four equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.42–3.10 Å. There are two shorter (2.86 Å) and two longer (2.93 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to eight Cu and four equivalent Sn atoms. All Cu–Cu bond lengths are 2.48 Å. All Cu–Sn bond lengths are 2.60 Å. In the third Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ce, eight Cu, and two equivalent Sn atoms. There are two shorter (2.52 Å) and one longer (2.67 Å) Cu–Cu bond lengths. Both Cu–Sn bond lengths are 2.71 Å. Sn is bonded in a 11-coordinate geometry to two equivalent Ce, seven Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.88 Å.},
doi = {10.17188/1719609},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}