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Title: Materials Data on PrAl2Ag by Materials Project

Abstract

PrAgAl2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to three equivalent Ag and nine equivalent Al atoms. All Pr–Ag bond lengths are 3.36 Å. There are six shorter (3.25 Å) and three longer (3.37 Å) Pr–Al bond lengths. In the second Pr site, Pr is bonded in a distorted hexagonal planar geometry to six equivalent Ag and twelve equivalent Al atoms. All Pr–Ag bond lengths are 3.29 Å. All Pr–Al bond lengths are 3.61 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. There are three shorter (2.75 Å) and three longer (2.79 Å) Ag–Al bond lengths. In the second Ag site, Ag is bonded to six equivalent Pr and six equivalent Al atoms to form edge-sharing AgPr6Al6 cuboctahedra. All Ag–Al bond lengths are 2.81 Å. Al is bonded in a 12-coordinate geometry to five Pr, three Ag, and four equivalent Al atoms. There are two shorter (2.81 Å) and two longer (2.89 Å) Al–Al bond lengths.

Publication Date:
Other Number(s):
mp-1101762
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; PrAl2Ag; Ag-Al-Pr
OSTI Identifier:
1656181
DOI:
https://doi.org/10.17188/1656181

Citation Formats

The Materials Project. Materials Data on PrAl2Ag by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656181.
The Materials Project. Materials Data on PrAl2Ag by Materials Project. United States. doi:https://doi.org/10.17188/1656181
The Materials Project. 2020. "Materials Data on PrAl2Ag by Materials Project". United States. doi:https://doi.org/10.17188/1656181. https://www.osti.gov/servlets/purl/1656181. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1656181,
title = {Materials Data on PrAl2Ag by Materials Project},
author = {The Materials Project},
abstractNote = {PrAgAl2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to three equivalent Ag and nine equivalent Al atoms. All Pr–Ag bond lengths are 3.36 Å. There are six shorter (3.25 Å) and three longer (3.37 Å) Pr–Al bond lengths. In the second Pr site, Pr is bonded in a distorted hexagonal planar geometry to six equivalent Ag and twelve equivalent Al atoms. All Pr–Ag bond lengths are 3.29 Å. All Pr–Al bond lengths are 3.61 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. There are three shorter (2.75 Å) and three longer (2.79 Å) Ag–Al bond lengths. In the second Ag site, Ag is bonded to six equivalent Pr and six equivalent Al atoms to form edge-sharing AgPr6Al6 cuboctahedra. All Ag–Al bond lengths are 2.81 Å. Al is bonded in a 12-coordinate geometry to five Pr, three Ag, and four equivalent Al atoms. There are two shorter (2.81 Å) and two longer (2.89 Å) Al–Al bond lengths.},
doi = {10.17188/1656181},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}