U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdCu3Pd2 by Materials Project
Abstract
NdCu3Pd2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to six equivalent Pd and ten Cu atoms. There are four shorter (3.01 Å) and two longer (3.04 Å) Nd–Pd bond lengths. There are a spread of Nd–Cu bond distances ranging from 3.02–3.27 Å. Pd is bonded to three equivalent Nd, two equivalent Pd, and seven Cu atoms to form a mixture of distorted corner, edge, and face-sharing PdNd3Cu7Pd2 cuboctahedra. There are one shorter (2.70 Å) and one longer (2.75 Å) Pd–Pd bond lengths. There are a spread of Pd–Cu bond distances ranging from 2.57–3.06 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd, four equivalent Pd, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.51–3.14 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to four equivalent Nd, six equivalent Pd, and six equivalent Cu atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1220182
- 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; NdCu3Pd2; Cu-Nd-Pd
- OSTI Identifier:
- 1707010
- DOI:
- https://doi.org/10.17188/1707010
Citation Formats
The Materials Project. Materials Data on NdCu3Pd2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707010.
The Materials Project. Materials Data on NdCu3Pd2 by Materials Project. United States. doi:https://doi.org/10.17188/1707010
The Materials Project. 2020.
"Materials Data on NdCu3Pd2 by Materials Project". United States. doi:https://doi.org/10.17188/1707010. https://www.osti.gov/servlets/purl/1707010. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707010,
title = {Materials Data on NdCu3Pd2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdCu3Pd2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to six equivalent Pd and ten Cu atoms. There are four shorter (3.01 Å) and two longer (3.04 Å) Nd–Pd bond lengths. There are a spread of Nd–Cu bond distances ranging from 3.02–3.27 Å. Pd is bonded to three equivalent Nd, two equivalent Pd, and seven Cu atoms to form a mixture of distorted corner, edge, and face-sharing PdNd3Cu7Pd2 cuboctahedra. There are one shorter (2.70 Å) and one longer (2.75 Å) Pd–Pd bond lengths. There are a spread of Pd–Cu bond distances ranging from 2.57–3.06 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd, four equivalent Pd, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.51–3.14 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to four equivalent Nd, six equivalent Pd, and six equivalent Cu atoms.},
doi = {10.17188/1707010},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}