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Title: Materials Data on Pu2Ni17 by Materials Project

Abstract

Pu2Ni17 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 Ni atoms. There are a spread of Pu–Ni bond distances ranging from 2.89–3.21 Å. In the second Pu site, Pu is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Pu–Ni bond distances ranging from 2.79–3.11 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two Pu and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.37–2.72 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one Pu and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.59 Å. In the third Ni site, Ni is bonded to two equivalent Pu and ten Ni atoms to form NiPu2Ni10 cuboctahedra that share corners with fourteen NiPu2Ni10 cuboctahedra, edges with six equivalent NiPu3Ni9 cuboctahedra, and faces with ten NiPu2Ni10 cuboctahedra. All Ni–Ni bond lengths are 2.40 Å. In the fourth Ni site, Ni is bonded to three Pu andmore » nine Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiPu3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.39 Å.« less

Publication Date:
Other Number(s):
mp-567327
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; Pu2Ni17; Ni-Pu
OSTI Identifier:
1273807
DOI:
https://doi.org/10.17188/1273807

Citation Formats

The Materials Project. Materials Data on Pu2Ni17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273807.
The Materials Project. Materials Data on Pu2Ni17 by Materials Project. United States. doi:https://doi.org/10.17188/1273807
The Materials Project. 2020. "Materials Data on Pu2Ni17 by Materials Project". United States. doi:https://doi.org/10.17188/1273807. https://www.osti.gov/servlets/purl/1273807. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1273807,
title = {Materials Data on Pu2Ni17 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu2Ni17 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 Ni atoms. There are a spread of Pu–Ni bond distances ranging from 2.89–3.21 Å. In the second Pu site, Pu is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Pu–Ni bond distances ranging from 2.79–3.11 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to two Pu and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.37–2.72 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to one Pu and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.59 Å. In the third Ni site, Ni is bonded to two equivalent Pu and ten Ni atoms to form NiPu2Ni10 cuboctahedra that share corners with fourteen NiPu2Ni10 cuboctahedra, edges with six equivalent NiPu3Ni9 cuboctahedra, and faces with ten NiPu2Ni10 cuboctahedra. All Ni–Ni bond lengths are 2.40 Å. In the fourth Ni site, Ni is bonded to three Pu and nine Ni atoms to form a mixture of distorted edge, face, and corner-sharing NiPu3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.39 Å.},
doi = {10.17188/1273807},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}