U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdCu5Sn by Materials Project
Abstract
NdCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Nd–Cu bond distances ranging from 2.95–3.40 Å. There are two shorter (3.33 Å) and two longer (3.44 Å) Nd–Sn bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Nd, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuNd3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.53–2.62 Å. Both Cu–Sn bond lengths are 2.85 Å. In the second Cu site, Cu is bonded to three equivalent Nd, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuNd3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.54–2.56 Å. There are one shorter (2.81 Å) and one longer (2.83 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd, six Cu, and one Sn atom. The Cu–Cu bond length is 3.10 Å. The Cu–Sn bond length is 2.82 Å.more »
- Publication Date:
- Other Number(s):
- mp-1209987
- 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; crystal structure; Cu-Nd-Sn; NdCu5Sn
- OSTI Identifier:
- 1707323
- DOI:
- https://doi.org/10.17188/1707323
Citation Formats
Materials Data on NdCu5Sn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707323.
Materials Data on NdCu5Sn by Materials Project. United States. doi:https://doi.org/10.17188/1707323
2020.
"Materials Data on NdCu5Sn by Materials Project". United States. doi:https://doi.org/10.17188/1707323. https://www.osti.gov/servlets/purl/1707323. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1707323,
title = {Materials Data on NdCu5Sn by Materials Project},
abstractNote = {NdCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Nd–Cu bond distances ranging from 2.95–3.40 Å. There are two shorter (3.33 Å) and two longer (3.44 Å) Nd–Sn bond lengths. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Nd, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuNd3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.53–2.62 Å. Both Cu–Sn bond lengths are 2.85 Å. In the second Cu site, Cu is bonded to three equivalent Nd, seven Cu, and two equivalent Sn atoms to form a mixture of corner, edge, and face-sharing CuNd3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.54–2.56 Å. There are one shorter (2.81 Å) and one longer (2.83 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd, six Cu, and one Sn atom. The Cu–Cu bond length is 3.10 Å. The Cu–Sn bond length is 2.82 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to three equivalent Nd, five Cu, and three equivalent Sn atoms. There are one shorter (2.69 Å) and two longer (3.07 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Nd and ten Cu atoms.},
doi = {10.17188/1707323},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}