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Title: Materials Data on Pu(IO3)4 by Materials Project

Abstract

Pu(O3I)4 crystallizes in the tetragonal P4_2/n space group. The structure is one-dimensional and consists of two Pu(O3I)4 ribbons oriented in the (0, 0, 1) direction. Pu4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.37 Å) Pu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pu4+ and one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Pu4+ and one I5+ atom. The O–I bond length is 1.87 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-553927
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; Pu(IO3)4; I-O-Pu
OSTI Identifier:
1267642
DOI:
10.17188/1267642

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Pu(IO3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267642.
Persson, Kristin, & Project, Materials. Materials Data on Pu(IO3)4 by Materials Project. United States. doi:10.17188/1267642.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Pu(IO3)4 by Materials Project". United States. doi:10.17188/1267642. https://www.osti.gov/servlets/purl/1267642. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1267642,
title = {Materials Data on Pu(IO3)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pu(O3I)4 crystallizes in the tetragonal P4_2/n space group. The structure is one-dimensional and consists of two Pu(O3I)4 ribbons oriented in the (0, 0, 1) direction. Pu4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.34 Å) and four longer (2.37 Å) Pu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pu4+ and one I5+ atom. The O–I bond length is 1.85 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Pu4+ and one I5+ atom. The O–I bond length is 1.87 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},
doi = {10.17188/1267642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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