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Title: Materials Data on PrAlCu by Materials Project

Abstract

PrCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.96 Å) and four longer (3.03 Å) Pr–Cu bond lengths. There are two shorter (3.33 Å) and four longer (3.34 Å) Pr–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Pr and six equivalent Al atoms. All Cu–Al bond lengths are 2.68 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Al atoms. All Cu–Al bond lengths are 2.84 Å. Al is bonded in a 12-coordinate geometry to six equivalent Pr, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.81 Å.

Authors:
Publication Date:
Other Number(s):
mp-1078692
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; PrAlCu; Al-Cu-Pr
OSTI Identifier:
1695993
DOI:
https://doi.org/10.17188/1695993

Citation Formats

The Materials Project. Materials Data on PrAlCu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695993.
The Materials Project. Materials Data on PrAlCu by Materials Project. United States. doi:https://doi.org/10.17188/1695993
The Materials Project. 2020. "Materials Data on PrAlCu by Materials Project". United States. doi:https://doi.org/10.17188/1695993. https://www.osti.gov/servlets/purl/1695993. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1695993,
title = {Materials Data on PrAlCu by Materials Project},
author = {The Materials Project},
abstractNote = {PrCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.96 Å) and four longer (3.03 Å) Pr–Cu bond lengths. There are two shorter (3.33 Å) and four longer (3.34 Å) Pr–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Pr and six equivalent Al atoms. All Cu–Al bond lengths are 2.68 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Al atoms. All Cu–Al bond lengths are 2.84 Å. Al is bonded in a 12-coordinate geometry to six equivalent Pr, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.81 Å.},
doi = {10.17188/1695993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}