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Title: Materials Data on Pu3Ta by Materials Project

Abstract

Pu3Ta is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Ta atoms to form PuPu8Ta4 cuboctahedra that share corners with twelve equivalent PuPu8Ta4 cuboctahedra, edges with eight equivalent TaPu12 cuboctahedra, edges with sixteen PuPu8Ta4 cuboctahedra, faces with four equivalent TaPu12 cuboctahedra, and faces with fourteen PuPu8Ta4 cuboctahedra. There are four shorter (3.14 Å) and four longer (3.20 Å) Pu–Pu bond lengths. All Pu–Ta bond lengths are 3.14 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Ta atoms to form PuPu8Ta4 cuboctahedra that share corners with four equivalent PuPu8Ta4 cuboctahedra, corners with eight equivalent TaPu12 cuboctahedra, edges with twenty-four PuPu8Ta4 cuboctahedra, faces with six equivalent TaPu12 cuboctahedra, and faces with twelve PuPu8Ta4 cuboctahedra. All Pu–Ta bond lengths are 3.20 Å. Ta is bonded to twelve Pu atoms to form TaPu12 cuboctahedra that share corners with four equivalent TaPu12 cuboctahedra, corners with eight equivalent PuPu8Ta4 cuboctahedra, edges with eight equivalent TaPu12 cuboctahedra, edges with sixteen equivalent PuPu8Ta4 cuboctahedra, faces with four equivalent TaPu12 cuboctahedra, and faces withmore » fourteen PuPu8Ta4 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1186826
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; Pu3Ta; Pu-Ta
OSTI Identifier:
1729282
DOI:
https://doi.org/10.17188/1729282

Citation Formats

The Materials Project. Materials Data on Pu3Ta by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729282.
The Materials Project. Materials Data on Pu3Ta by Materials Project. United States. doi:https://doi.org/10.17188/1729282
The Materials Project. 2020. "Materials Data on Pu3Ta by Materials Project". United States. doi:https://doi.org/10.17188/1729282. https://www.osti.gov/servlets/purl/1729282. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729282,
title = {Materials Data on Pu3Ta by Materials Project},
author = {The Materials Project},
abstractNote = {Pu3Ta is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Ta atoms to form PuPu8Ta4 cuboctahedra that share corners with twelve equivalent PuPu8Ta4 cuboctahedra, edges with eight equivalent TaPu12 cuboctahedra, edges with sixteen PuPu8Ta4 cuboctahedra, faces with four equivalent TaPu12 cuboctahedra, and faces with fourteen PuPu8Ta4 cuboctahedra. There are four shorter (3.14 Å) and four longer (3.20 Å) Pu–Pu bond lengths. All Pu–Ta bond lengths are 3.14 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Ta atoms to form PuPu8Ta4 cuboctahedra that share corners with four equivalent PuPu8Ta4 cuboctahedra, corners with eight equivalent TaPu12 cuboctahedra, edges with twenty-four PuPu8Ta4 cuboctahedra, faces with six equivalent TaPu12 cuboctahedra, and faces with twelve PuPu8Ta4 cuboctahedra. All Pu–Ta bond lengths are 3.20 Å. Ta is bonded to twelve Pu atoms to form TaPu12 cuboctahedra that share corners with four equivalent TaPu12 cuboctahedra, corners with eight equivalent PuPu8Ta4 cuboctahedra, edges with eight equivalent TaPu12 cuboctahedra, edges with sixteen equivalent PuPu8Ta4 cuboctahedra, faces with four equivalent TaPu12 cuboctahedra, and faces with fourteen PuPu8Ta4 cuboctahedra.},
doi = {10.17188/1729282},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}