U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdAl2Cu9 by Materials Project
Abstract
NdCu9Al2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eighteen Cu atoms. There are a spread of Nd–Cu bond distances ranging from 3.17–3.31 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to two equivalent Nd, eight equivalent Cu, and four equivalent Al atoms. All Cu–Cu bond lengths are 2.76 Å. All Cu–Al bond lengths are 2.67 Å. In the second Cu site, Cu is bonded in a 2-coordinate geometry to two equivalent Nd, eight Cu, and two equivalent Al atoms. There are a spread of Cu–Cu bond distances ranging from 2.49–2.83 Å. There are one shorter (2.49 Å) and one longer (2.51 Å) Cu–Al bond lengths. Al is bonded in a distorted q6 geometry to ten Cu atoms.
- Publication Date:
- Other Number(s):
- mp-973410
- 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; Al-Cu-Nd; NdAl2Cu9; crystal structure
- OSTI Identifier:
- 1314101
- DOI:
- https://doi.org/10.17188/1314101
Citation Formats
Materials Data on NdAl2Cu9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314101.
Materials Data on NdAl2Cu9 by Materials Project. United States. doi:https://doi.org/10.17188/1314101
2020.
"Materials Data on NdAl2Cu9 by Materials Project". United States. doi:https://doi.org/10.17188/1314101. https://www.osti.gov/servlets/purl/1314101. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1314101,
title = {Materials Data on NdAl2Cu9 by Materials Project},
abstractNote = {NdCu9Al2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eighteen Cu atoms. There are a spread of Nd–Cu bond distances ranging from 3.17–3.31 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to two equivalent Nd, eight equivalent Cu, and four equivalent Al atoms. All Cu–Cu bond lengths are 2.76 Å. All Cu–Al bond lengths are 2.67 Å. In the second Cu site, Cu is bonded in a 2-coordinate geometry to two equivalent Nd, eight Cu, and two equivalent Al atoms. There are a spread of Cu–Cu bond distances ranging from 2.49–2.83 Å. There are one shorter (2.49 Å) and one longer (2.51 Å) Cu–Al bond lengths. Al is bonded in a distorted q6 geometry to ten Cu atoms.},
doi = {10.17188/1314101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}