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Title: Materials Data on PuGa4 by Materials Project

Abstract

PuGa4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to thirteen Ga atoms. There are a spread of Pu–Ga bond distances ranging from 2.97–3.13 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Pu and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.91 Å. In the second Ga site, Ga is bonded to four equivalent Pu and eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaPu4Ga8 cuboctahedra. There are four shorter (3.02 Å) and two longer (3.06 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Pu and eight Ga atoms.

Publication Date:
Other Number(s):
mp-510173
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; PuGa4; Ga-Pu
OSTI Identifier:
1262848
DOI:
https://doi.org/10.17188/1262848

Citation Formats

The Materials Project. Materials Data on PuGa4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262848.
The Materials Project. Materials Data on PuGa4 by Materials Project. United States. doi:https://doi.org/10.17188/1262848
The Materials Project. 2020. "Materials Data on PuGa4 by Materials Project". United States. doi:https://doi.org/10.17188/1262848. https://www.osti.gov/servlets/purl/1262848. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262848,
title = {Materials Data on PuGa4 by Materials Project},
author = {The Materials Project},
abstractNote = {PuGa4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to thirteen Ga atoms. There are a spread of Pu–Ga bond distances ranging from 2.97–3.13 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Pu and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.91 Å. In the second Ga site, Ga is bonded to four equivalent Pu and eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaPu4Ga8 cuboctahedra. There are four shorter (3.02 Å) and two longer (3.06 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Pu and eight Ga atoms.},
doi = {10.17188/1262848},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}