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Title: Materials Data on PuGaNi by Materials Project

Abstract

PuNiGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 11-coordinate geometry to five Ni and six Ga atoms. There are four shorter (2.83 Å) and one longer (2.88 Å) Pu–Ni bond lengths. There are two shorter (3.07 Å) and four longer (3.17 Å) Pu–Ga bond lengths. In the second Pu site, Pu is bonded in a 11-coordinate geometry to five Ni and six Ga atoms. There are two shorter (2.84 Å) and three longer (2.85 Å) Pu–Ni bond lengths. There are a spread of Pu–Ga bond distances ranging from 3.05–3.18 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Pu and three Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.64–2.68 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to three Pu and six Ga atoms. There are four shorter (2.55 Å) and two longer (2.57 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six Pu, four Ni,more » and two equivalent Ga atoms to form distorted face-sharing GaPu6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.84 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Pu, four Ni, and two Ga atoms. The Ga–Ga bond length is 2.79 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1091393
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; PuGaNi; Ga-Ni-Pu
OSTI Identifier:
1733146
DOI:
https://doi.org/10.17188/1733146

Citation Formats

The Materials Project. Materials Data on PuGaNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733146.
The Materials Project. Materials Data on PuGaNi by Materials Project. United States. doi:https://doi.org/10.17188/1733146
The Materials Project. 2020. "Materials Data on PuGaNi by Materials Project". United States. doi:https://doi.org/10.17188/1733146. https://www.osti.gov/servlets/purl/1733146. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1733146,
title = {Materials Data on PuGaNi by Materials Project},
author = {The Materials Project},
abstractNote = {PuNiGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 11-coordinate geometry to five Ni and six Ga atoms. There are four shorter (2.83 Å) and one longer (2.88 Å) Pu–Ni bond lengths. There are two shorter (3.07 Å) and four longer (3.17 Å) Pu–Ga bond lengths. In the second Pu site, Pu is bonded in a 11-coordinate geometry to five Ni and six Ga atoms. There are two shorter (2.84 Å) and three longer (2.85 Å) Pu–Ni bond lengths. There are a spread of Pu–Ga bond distances ranging from 3.05–3.18 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Pu and three Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.64–2.68 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to three Pu and six Ga atoms. There are four shorter (2.55 Å) and two longer (2.57 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six Pu, four Ni, and two equivalent Ga atoms to form distorted face-sharing GaPu6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.84 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Pu, four Ni, and two Ga atoms. The Ga–Ga bond length is 2.79 Å.},
doi = {10.17188/1733146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}