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Title: Materials Data on PuH3 by Materials Project

Abstract

PuH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Pu–H bond distances ranging from 2.15–2.39 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Pu3+ atoms to form a mixture of corner, edge, and face-sharing HPu4 tetrahedra. In the second H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Pu3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23679
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; PuH3; H-Pu
OSTI Identifier:
1199656
DOI:
https://doi.org/10.17188/1199656

Citation Formats

The Materials Project. Materials Data on PuH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199656.
The Materials Project. Materials Data on PuH3 by Materials Project. United States. doi:https://doi.org/10.17188/1199656
The Materials Project. 2020. "Materials Data on PuH3 by Materials Project". United States. doi:https://doi.org/10.17188/1199656. https://www.osti.gov/servlets/purl/1199656. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199656,
title = {Materials Data on PuH3 by Materials Project},
author = {The Materials Project},
abstractNote = {PuH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Pu–H bond distances ranging from 2.15–2.39 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Pu3+ atoms to form a mixture of corner, edge, and face-sharing HPu4 tetrahedra. In the second H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Pu3+ atoms.},
doi = {10.17188/1199656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}