skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

Pr(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Pr–Cu bond lengths are 3.41 Å. There are four shorter (3.11 Å) and eight longer (3.27 Å) Pr–Al bond lengths. Cu is bonded to two equivalent Pr, two equivalent Cu, and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing CuPr2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.60 Å. There are four shorter (2.59 Å) and four longer (2.73 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 Pr, four equivalent Cu, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.80–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Pr, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.69 Å.

Publication Date:
Other Number(s):
mp-862763
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr(Al2Cu)4; Al-Cu-Pr
OSTI Identifier:
1309599
DOI:
https://doi.org/10.17188/1309599

Citation Formats

The Materials Project. Materials Data on Pr(Al2Cu)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309599.
The Materials Project. Materials Data on Pr(Al2Cu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1309599
The Materials Project. 2020. "Materials Data on Pr(Al2Cu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1309599. https://www.osti.gov/servlets/purl/1309599. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1309599,
title = {Materials Data on Pr(Al2Cu)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Pr–Cu bond lengths are 3.41 Å. There are four shorter (3.11 Å) and eight longer (3.27 Å) Pr–Al bond lengths. Cu is bonded to two equivalent Pr, two equivalent Cu, and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing CuPr2Al8Cu2 cuboctahedra. Both Cu–Cu bond lengths are 2.60 Å. There are four shorter (2.59 Å) and four longer (2.73 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 Pr, four equivalent Cu, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.80–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one Pr, four equivalent Cu, and five Al atoms. The Al–Al bond length is 2.69 Å.},
doi = {10.17188/1309599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}