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Title: Materials Data on AcPr3 by Materials Project

Abstract

AcPr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve Pr atoms to form AcPr12 cuboctahedra that share corners with four equivalent AcPr12 cuboctahedra, corners with eight equivalent PrAc4Pr8 cuboctahedra, edges with eight equivalent AcPr12 cuboctahedra, edges with sixteen equivalent PrAc4Pr8 cuboctahedra, faces with four equivalent AcPr12 cuboctahedra, and faces with fourteen PrAc4Pr8 cuboctahedra. There are four shorter (3.77 Å) and eight longer (3.78 Å) Ac–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Ac and eight Pr atoms to form PrAc4Pr8 cuboctahedra that share corners with twelve equivalent PrAc4Pr8 cuboctahedra, edges with eight equivalent AcPr12 cuboctahedra, edges with sixteen PrAc4Pr8 cuboctahedra, faces with four equivalent AcPr12 cuboctahedra, and faces with fourteen PrAc4Pr8 cuboctahedra. There are four shorter (3.77 Å) and four longer (3.78 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Ac and eight equivalent Pr atoms to form PrAc4Pr8 cuboctahedra that share corners with four equivalent PrAc4Pr8 cuboctahedra, corners with eight equivalent AcPr12 cuboctahedra, edges with twenty-four PrAc4Pr8 cuboctahedra, faces with six equivalent AcPr12 cuboctahedra, and faces withmore » twelve PrAc4Pr8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1183239
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; AcPr3; Ac-Pr
OSTI Identifier:
1734146
DOI:
https://doi.org/10.17188/1734146

Citation Formats

The Materials Project. Materials Data on AcPr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734146.
The Materials Project. Materials Data on AcPr3 by Materials Project. United States. doi:https://doi.org/10.17188/1734146
The Materials Project. 2020. "Materials Data on AcPr3 by Materials Project". United States. doi:https://doi.org/10.17188/1734146. https://www.osti.gov/servlets/purl/1734146. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1734146,
title = {Materials Data on AcPr3 by Materials Project},
author = {The Materials Project},
abstractNote = {AcPr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve Pr atoms to form AcPr12 cuboctahedra that share corners with four equivalent AcPr12 cuboctahedra, corners with eight equivalent PrAc4Pr8 cuboctahedra, edges with eight equivalent AcPr12 cuboctahedra, edges with sixteen equivalent PrAc4Pr8 cuboctahedra, faces with four equivalent AcPr12 cuboctahedra, and faces with fourteen PrAc4Pr8 cuboctahedra. There are four shorter (3.77 Å) and eight longer (3.78 Å) Ac–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Ac and eight Pr atoms to form PrAc4Pr8 cuboctahedra that share corners with twelve equivalent PrAc4Pr8 cuboctahedra, edges with eight equivalent AcPr12 cuboctahedra, edges with sixteen PrAc4Pr8 cuboctahedra, faces with four equivalent AcPr12 cuboctahedra, and faces with fourteen PrAc4Pr8 cuboctahedra. There are four shorter (3.77 Å) and four longer (3.78 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Ac and eight equivalent Pr atoms to form PrAc4Pr8 cuboctahedra that share corners with four equivalent PrAc4Pr8 cuboctahedra, corners with eight equivalent AcPr12 cuboctahedra, edges with twenty-four PrAc4Pr8 cuboctahedra, faces with six equivalent AcPr12 cuboctahedra, and faces with twelve PrAc4Pr8 cuboctahedra.},
doi = {10.17188/1734146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}