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Title: Materials Data on Pr3Ag by Materials Project

Abstract

Pr3Ag is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Ag atoms to form distorted PrPr8Ag4 cuboctahedra that share corners with twelve equivalent PrPr8Ag4 cuboctahedra, edges with eight equivalent PrPr8Ag4 cuboctahedra, edges with eight equivalent AgPr12 cuboctahedra, faces with four equivalent AgPr12 cuboctahedra, and faces with ten equivalent PrPr8Ag4 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.56 Å) Pr–Pr bond lengths. All Pr–Ag bond lengths are 3.56 Å. In the second Pr site, Pr is bonded in a square co-planar geometry to eight equivalent Pr and four equivalent Ag atoms. All Pr–Ag bond lengths are 3.42 Å. Ag is bonded to twelve Pr atoms to form AgPr12 cuboctahedra that share corners with four equivalent AgPr12 cuboctahedra, edges with eight equivalent AgPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ag4 cuboctahedra, faces with four equivalent AgPr12 cuboctahedra, and faces with eight equivalent PrPr8Ag4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-975647
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; Pr3Ag; Ag-Pr
OSTI Identifier:
1314855
DOI:
https://doi.org/10.17188/1314855

Citation Formats

The Materials Project. Materials Data on Pr3Ag by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314855.
The Materials Project. Materials Data on Pr3Ag by Materials Project. United States. doi:https://doi.org/10.17188/1314855
The Materials Project. 2020. "Materials Data on Pr3Ag by Materials Project". United States. doi:https://doi.org/10.17188/1314855. https://www.osti.gov/servlets/purl/1314855. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314855,
title = {Materials Data on Pr3Ag by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3Ag is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Ag atoms to form distorted PrPr8Ag4 cuboctahedra that share corners with twelve equivalent PrPr8Ag4 cuboctahedra, edges with eight equivalent PrPr8Ag4 cuboctahedra, edges with eight equivalent AgPr12 cuboctahedra, faces with four equivalent AgPr12 cuboctahedra, and faces with ten equivalent PrPr8Ag4 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.56 Å) Pr–Pr bond lengths. All Pr–Ag bond lengths are 3.56 Å. In the second Pr site, Pr is bonded in a square co-planar geometry to eight equivalent Pr and four equivalent Ag atoms. All Pr–Ag bond lengths are 3.42 Å. Ag is bonded to twelve Pr atoms to form AgPr12 cuboctahedra that share corners with four equivalent AgPr12 cuboctahedra, edges with eight equivalent AgPr12 cuboctahedra, edges with sixteen equivalent PrPr8Ag4 cuboctahedra, faces with four equivalent AgPr12 cuboctahedra, and faces with eight equivalent PrPr8Ag4 cuboctahedra.},
doi = {10.17188/1314855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}