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Title: Materials Data on PmPu3 by Materials Project

Abstract

Pu3Pm 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 Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with twelve equivalent PuPm4Pu8 cuboctahedra, edges with eight equivalent PmPu12 cuboctahedra, edges with sixteen PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces with fourteen PuPm4Pu8 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.46 Å) Pu–Pu bond lengths. All Pu–Pm bond lengths are 3.46 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with four equivalent PuPm4Pu8 cuboctahedra, corners with eight equivalent PmPu12 cuboctahedra, edges with twenty-four PuPm4Pu8 cuboctahedra, faces with six equivalent PmPu12 cuboctahedra, and faces with twelve PuPm4Pu8 cuboctahedra. All Pu–Pm bond lengths are 3.42 Å. Pm is bonded to twelve Pu atoms to form PmPu12 cuboctahedra that share corners with four equivalent PmPu12 cuboctahedra, corners with eight equivalent PuPm4Pu8 cuboctahedra, edges with eight equivalent PmPu12 cuboctahedra, edges with sixteen equivalent PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces withmore » fourteen PuPm4Pu8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1186666
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; PmPu3; Pm-Pu
OSTI Identifier:
1744949
DOI:
https://doi.org/10.17188/1744949

Citation Formats

The Materials Project. Materials Data on PmPu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744949.
The Materials Project. Materials Data on PmPu3 by Materials Project. United States. doi:https://doi.org/10.17188/1744949
The Materials Project. 2020. "Materials Data on PmPu3 by Materials Project". United States. doi:https://doi.org/10.17188/1744949. https://www.osti.gov/servlets/purl/1744949. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1744949,
title = {Materials Data on PmPu3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu3Pm 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 Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with twelve equivalent PuPm4Pu8 cuboctahedra, edges with eight equivalent PmPu12 cuboctahedra, edges with sixteen PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces with fourteen PuPm4Pu8 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.46 Å) Pu–Pu bond lengths. All Pu–Pm bond lengths are 3.46 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with four equivalent PuPm4Pu8 cuboctahedra, corners with eight equivalent PmPu12 cuboctahedra, edges with twenty-four PuPm4Pu8 cuboctahedra, faces with six equivalent PmPu12 cuboctahedra, and faces with twelve PuPm4Pu8 cuboctahedra. All Pu–Pm bond lengths are 3.42 Å. Pm is bonded to twelve Pu atoms to form PmPu12 cuboctahedra that share corners with four equivalent PmPu12 cuboctahedra, corners with eight equivalent PuPm4Pu8 cuboctahedra, edges with eight equivalent PmPu12 cuboctahedra, edges with sixteen equivalent PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces with fourteen PuPm4Pu8 cuboctahedra.},
doi = {10.17188/1744949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}