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Title: Materials Data on PuPO4 by Materials Project

Abstract

PuPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pu–O bond distances ranging from 2.42–2.78 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pu3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pu3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pu3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pu3+ and one P5+ atom.

Publication Date:
Other Number(s):
mp-1190526
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; PuPO4; O-P-Pu
OSTI Identifier:
1726823
DOI:
https://doi.org/10.17188/1726823

Citation Formats

The Materials Project. Materials Data on PuPO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726823.
The Materials Project. Materials Data on PuPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1726823
The Materials Project. 2020. "Materials Data on PuPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1726823. https://www.osti.gov/servlets/purl/1726823. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1726823,
title = {Materials Data on PuPO4 by Materials Project},
author = {The Materials Project},
abstractNote = {PuPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pu–O bond distances ranging from 2.42–2.78 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pu3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pu3+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pu3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pu3+ and one P5+ atom.},
doi = {10.17188/1726823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}