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Title: Materials Data on Pu(SeO3)2 by Materials Project

Abstract

Pu(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pu–O bond distances ranging from 2.22–2.52 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.78 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pu4+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Pu4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150more » degrees geometry to one Pu4+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Pu4+ and one Se4+ atom.« less

Publication Date:
Other Number(s):
mp-555672
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(SeO3)2; O-Pu-Se
OSTI Identifier:
1268929
DOI:
10.17188/1268929

Citation Formats

The Materials Project. Materials Data on Pu(SeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268929.
The Materials Project. Materials Data on Pu(SeO3)2 by Materials Project. United States. doi:10.17188/1268929.
The Materials Project. 2020. "Materials Data on Pu(SeO3)2 by Materials Project". United States. doi:10.17188/1268929. https://www.osti.gov/servlets/purl/1268929. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1268929,
title = {Materials Data on Pu(SeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pu–O bond distances ranging from 2.22–2.52 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.78 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pu4+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Pu4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Pu4+ and one Se4+ atom.},
doi = {10.17188/1268929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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