U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NdPu3 by Materials Project
Abstract
Pu3Nd 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 Nd atoms to form PuNd4Pu8 cuboctahedra that share corners with twelve equivalent PuNd4Pu8 cuboctahedra, edges with eight equivalent NdPu12 cuboctahedra, edges with sixteen PuNd4Pu8 cuboctahedra, faces with four equivalent NdPu12 cuboctahedra, and faces with fourteen PuNd4Pu8 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.47 Å) Pu–Pu bond lengths. All Pu–Nd bond lengths are 3.47 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Nd atoms to form PuNd4Pu8 cuboctahedra that share corners with four equivalent PuNd4Pu8 cuboctahedra, corners with eight equivalent NdPu12 cuboctahedra, edges with twenty-four PuNd4Pu8 cuboctahedra, faces with six equivalent NdPu12 cuboctahedra, and faces with twelve PuNd4Pu8 cuboctahedra. All Pu–Nd bond lengths are 3.44 Å. Nd is bonded to twelve Pu atoms to form NdPu12 cuboctahedra that share corners with four equivalent NdPu12 cuboctahedra, corners with eight equivalent PuNd4Pu8 cuboctahedra, edges with eight equivalent NdPu12 cuboctahedra, edges with sixteen equivalent PuNd4Pu8 cuboctahedra, faces with four equivalent NdPu12 cuboctahedra, and faces withmore »
- Publication Date:
- Other Number(s):
- mp-1186386
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Nd-Pu; NdPu3; crystal structure
- OSTI Identifier:
- 1681313
- DOI:
- https://doi.org/10.17188/1681313
Citation Formats
Materials Data on NdPu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681313.
Materials Data on NdPu3 by Materials Project. United States. doi:https://doi.org/10.17188/1681313
2020.
"Materials Data on NdPu3 by Materials Project". United States. doi:https://doi.org/10.17188/1681313. https://www.osti.gov/servlets/purl/1681313. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681313,
title = {Materials Data on NdPu3 by Materials Project},
abstractNote = {Pu3Nd 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 Nd atoms to form PuNd4Pu8 cuboctahedra that share corners with twelve equivalent PuNd4Pu8 cuboctahedra, edges with eight equivalent NdPu12 cuboctahedra, edges with sixteen PuNd4Pu8 cuboctahedra, faces with four equivalent NdPu12 cuboctahedra, and faces with fourteen PuNd4Pu8 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.47 Å) Pu–Pu bond lengths. All Pu–Nd bond lengths are 3.47 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Nd atoms to form PuNd4Pu8 cuboctahedra that share corners with four equivalent PuNd4Pu8 cuboctahedra, corners with eight equivalent NdPu12 cuboctahedra, edges with twenty-four PuNd4Pu8 cuboctahedra, faces with six equivalent NdPu12 cuboctahedra, and faces with twelve PuNd4Pu8 cuboctahedra. All Pu–Nd bond lengths are 3.44 Å. Nd is bonded to twelve Pu atoms to form NdPu12 cuboctahedra that share corners with four equivalent NdPu12 cuboctahedra, corners with eight equivalent PuNd4Pu8 cuboctahedra, edges with eight equivalent NdPu12 cuboctahedra, edges with sixteen equivalent PuNd4Pu8 cuboctahedra, faces with four equivalent NdPu12 cuboctahedra, and faces with fourteen PuNd4Pu8 cuboctahedra.},
doi = {10.17188/1681313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}