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Title: Materials Data on PuRe2 by Materials Project

Abstract

PuRe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pu is bonded in a 10-coordinate geometry to one Pu and twelve Re atoms. The Pu–Pu bond length is 2.33 Å. There are a spread of Pu–Re bond distances ranging from 3.02–3.35 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of face, edge, and corner-sharing RePu6Re6 cuboctahedra. All Re–Re bond lengths are 2.60 Å. In the second Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.67–2.91 Å. In the third Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1103797
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; PuRe2; Pu-Re
OSTI Identifier:
1682191
DOI:
https://doi.org/10.17188/1682191

Citation Formats

The Materials Project. Materials Data on PuRe2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1682191.
The Materials Project. Materials Data on PuRe2 by Materials Project. United States. doi:https://doi.org/10.17188/1682191
The Materials Project. 2018. "Materials Data on PuRe2 by Materials Project". United States. doi:https://doi.org/10.17188/1682191. https://www.osti.gov/servlets/purl/1682191. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1682191,
title = {Materials Data on PuRe2 by Materials Project},
author = {The Materials Project},
abstractNote = {PuRe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pu is bonded in a 10-coordinate geometry to one Pu and twelve Re atoms. The Pu–Pu bond length is 2.33 Å. There are a spread of Pu–Re bond distances ranging from 3.02–3.35 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of face, edge, and corner-sharing RePu6Re6 cuboctahedra. All Re–Re bond lengths are 2.60 Å. In the second Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.67–2.91 Å. In the third Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra.},
doi = {10.17188/1682191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}