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Title: Materials Data on PuTeSO7 by Materials Project

Abstract

PuTeSO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one PuTeSO7 sheet oriented in the (0, 0, 1) direction. Pu4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pu–O bond distances ranging from 2.09–2.58 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Pu4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pu4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and onemore » Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1197213
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; PuTeSO7; O-Pu-S-Te
OSTI Identifier:
1745782
DOI:
https://doi.org/10.17188/1745782

Citation Formats

The Materials Project. Materials Data on PuTeSO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745782.
The Materials Project. Materials Data on PuTeSO7 by Materials Project. United States. doi:https://doi.org/10.17188/1745782
The Materials Project. 2020. "Materials Data on PuTeSO7 by Materials Project". United States. doi:https://doi.org/10.17188/1745782. https://www.osti.gov/servlets/purl/1745782. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1745782,
title = {Materials Data on PuTeSO7 by Materials Project},
author = {The Materials Project},
abstractNote = {PuTeSO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one PuTeSO7 sheet oriented in the (0, 0, 1) direction. Pu4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pu–O bond distances ranging from 2.09–2.58 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Pu4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pu4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Pu4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.},
doi = {10.17188/1745782},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}