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Title: Materials Data on Pu2Co17 by Materials Project

Abstract

Pu2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Pu–Co bond distances ranging from 2.93–3.27 Å. In the second Pu site, Pu is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Pu–Co bond distances ranging from 2.87–3.13 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Pu and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.68 Å. In the second Co site, Co is bonded to two equivalent Pu and ten Co atoms to form CoPu2Co10 cuboctahedra that share corners with fourteen CoPu3Co9 cuboctahedra, edges with six equivalent CoPu3Co9 cuboctahedra, and faces with ten CoPu2Co10 cuboctahedra. There are four shorter (2.39 Å) and two longer (2.54 Å) Co–Co bond lengths. In the third Co site, Co is bonded to three Pu and nine Co atoms to form distorted CoPu3Co9 cuboctahedra that share corners with fifteen CoPu3Co9 cuboctahedra, edges with eight CoPu3Co9 cuboctahedra, and faces with tenmore » CoPu2Co10 cuboctahedra. There are two shorter (2.44 Å) and one longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 2-coordinate geometry to one Pu and thirteen Co atoms. The Co–Co bond length is 2.35 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-568820
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; Pu2Co17; Co-Pu
OSTI Identifier:
1274714
DOI:
https://doi.org/10.17188/1274714

Citation Formats

The Materials Project. Materials Data on Pu2Co17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274714.
The Materials Project. Materials Data on Pu2Co17 by Materials Project. United States. doi:https://doi.org/10.17188/1274714
The Materials Project. 2020. "Materials Data on Pu2Co17 by Materials Project". United States. doi:https://doi.org/10.17188/1274714. https://www.osti.gov/servlets/purl/1274714. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1274714,
title = {Materials Data on Pu2Co17 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Pu–Co bond distances ranging from 2.93–3.27 Å. In the second Pu site, Pu is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Pu–Co bond distances ranging from 2.87–3.13 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Pu and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.68 Å. In the second Co site, Co is bonded to two equivalent Pu and ten Co atoms to form CoPu2Co10 cuboctahedra that share corners with fourteen CoPu3Co9 cuboctahedra, edges with six equivalent CoPu3Co9 cuboctahedra, and faces with ten CoPu2Co10 cuboctahedra. There are four shorter (2.39 Å) and two longer (2.54 Å) Co–Co bond lengths. In the third Co site, Co is bonded to three Pu and nine Co atoms to form distorted CoPu3Co9 cuboctahedra that share corners with fifteen CoPu3Co9 cuboctahedra, edges with eight CoPu3Co9 cuboctahedra, and faces with ten CoPu2Co10 cuboctahedra. There are two shorter (2.44 Å) and one longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 2-coordinate geometry to one Pu and thirteen Co atoms. The Co–Co bond length is 2.35 Å.},
doi = {10.17188/1274714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}