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Title: Materials Data on Nd(Al2Cu)4 by Materials Project

Abstract

Al8Cu4Nd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Nd–Cu bond lengths are 3.40 Å. There are four shorter (3.11 Å) and eight longer (3.26 Å) Nd–Al bond lengths. Cu is bonded to two equivalent Nd, two equivalent Cu, and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing CuNd2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.60 Å. There are four shorter (2.59 Å) and four longer (2.72 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Nd, four equivalent Cu, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.78–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Nd, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.69 Å.

Authors:
Publication Date:
Other Number(s):
mp-974729
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; Nd(Al2Cu)4; Al-Cu-Nd
OSTI Identifier:
1314622
DOI:
https://doi.org/10.17188/1314622

Citation Formats

The Materials Project. Materials Data on Nd(Al2Cu)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314622.
The Materials Project. Materials Data on Nd(Al2Cu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1314622
The Materials Project. 2020. "Materials Data on Nd(Al2Cu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1314622. https://www.osti.gov/servlets/purl/1314622. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1314622,
title = {Materials Data on Nd(Al2Cu)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Al8Cu4Nd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Nd–Cu bond lengths are 3.40 Å. There are four shorter (3.11 Å) and eight longer (3.26 Å) Nd–Al bond lengths. Cu is bonded to two equivalent Nd, two equivalent Cu, and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing CuNd2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.60 Å. There are four shorter (2.59 Å) and four longer (2.72 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent Nd, four equivalent Cu, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.78–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Nd, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.69 Å.},
doi = {10.17188/1314622},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}