U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdCu5 by Materials Project
Abstract
NdCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.95 Å) and twelve longer (3.28 Å) Nd–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the second Cu site, Cu is bonded to four equivalent Nd and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuNd4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.56 Å.
- Publication Date:
- Other Number(s):
- mp-1140
- 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; Cu-Nd; NdCu5; crystal structure
- OSTI Identifier:
- 1187801
- DOI:
- https://doi.org/10.17188/1187801
Citation Formats
Materials Data on NdCu5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187801.
Materials Data on NdCu5 by Materials Project. United States. doi:https://doi.org/10.17188/1187801
2020.
"Materials Data on NdCu5 by Materials Project". United States. doi:https://doi.org/10.17188/1187801. https://www.osti.gov/servlets/purl/1187801. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1187801,
title = {Materials Data on NdCu5 by Materials Project},
abstractNote = {NdCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.95 Å) and twelve longer (3.28 Å) Nd–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the second Cu site, Cu is bonded to four equivalent Nd and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuNd4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.56 Å.},
doi = {10.17188/1187801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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