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Title: Materials Data on Pr(AlSi)2 by Materials Project

Abstract

PrAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr is bonded to six equivalent Si atoms to form distorted PrSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent PrSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Pr–Si bond lengths are 3.08 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent PrSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent PrSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–53°. There are three shorter (2.53 Å) and one longer (2.54 Å) Al–Si bond lengths. Si is bonded to three equivalent Pr and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiPr3Al4 pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-12856
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(AlSi)2; Al-Pr-Si
OSTI Identifier:
1189227
DOI:
https://doi.org/10.17188/1189227

Citation Formats

The Materials Project. Materials Data on Pr(AlSi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189227.
The Materials Project. Materials Data on Pr(AlSi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1189227
The Materials Project. 2020. "Materials Data on Pr(AlSi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1189227. https://www.osti.gov/servlets/purl/1189227. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189227,
title = {Materials Data on Pr(AlSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PrAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr is bonded to six equivalent Si atoms to form distorted PrSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent PrSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Pr–Si bond lengths are 3.08 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent PrSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent PrSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–53°. There are three shorter (2.53 Å) and one longer (2.54 Å) Al–Si bond lengths. Si is bonded to three equivalent Pr and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SiPr3Al4 pentagonal bipyramids.},
doi = {10.17188/1189227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}