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Title: Materials Data on PrAl4 by Materials Project

Abstract

PrAl4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.29 Å) and eight longer (3.56 Å) Pr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Pr and five Al atoms. There are one shorter (2.54 Å) and four longer (2.66 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Pr and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing AlPr4Al8 cuboctahedra. All Al–Al bond lengths are 3.04 Å.

Publication Date:
Other Number(s):
mp-2336
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; PrAl4; Al-Pr
OSTI Identifier:
1199453
DOI:
https://doi.org/10.17188/1199453

Citation Formats

The Materials Project. Materials Data on PrAl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199453.
The Materials Project. Materials Data on PrAl4 by Materials Project. United States. doi:https://doi.org/10.17188/1199453
The Materials Project. 2020. "Materials Data on PrAl4 by Materials Project". United States. doi:https://doi.org/10.17188/1199453. https://www.osti.gov/servlets/purl/1199453. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199453,
title = {Materials Data on PrAl4 by Materials Project},
author = {The Materials Project},
abstractNote = {PrAl4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Al atoms. There are eight shorter (3.29 Å) and eight longer (3.56 Å) Pr–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 9-coordinate geometry to four equivalent Pr and five Al atoms. There are one shorter (2.54 Å) and four longer (2.66 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Pr and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing AlPr4Al8 cuboctahedra. All Al–Al bond lengths are 3.04 Å.},
doi = {10.17188/1199453},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}