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Title: Materials Data on PuH8(SO6)2 by Materials Project

Abstract

PuH8(SO6)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two PuH8(SO6)2 sheets oriented in the (0, 0, 1) direction. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pu–O bond distances ranging from 2.32–2.41 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S6+ atom. In the second O2- site, O2- is bondedmore » in a water-like geometry to one Pu4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two equivalent H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two equivalent H1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-24478
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; PuH8(SO6)2; H-O-Pu-S
OSTI Identifier:
1200114
DOI:
https://doi.org/10.17188/1200114

Citation Formats

The Materials Project. Materials Data on PuH8(SO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200114.
The Materials Project. Materials Data on PuH8(SO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1200114
The Materials Project. 2020. "Materials Data on PuH8(SO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1200114. https://www.osti.gov/servlets/purl/1200114. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1200114,
title = {Materials Data on PuH8(SO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PuH8(SO6)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two PuH8(SO6)2 sheets oriented in the (0, 0, 1) direction. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pu–O bond distances ranging from 2.32–2.41 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two equivalent H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two equivalent H1+ atoms.},
doi = {10.17188/1200114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}