Materials Data on PuAsO4 by Materials Project
Abstract
PuAsO4 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 2.45–2.89 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.73 Å) and one longer (1.74 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pu3+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pu3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu3+ and one As5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209622
- 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; PuAsO4; As-O-Pu
- OSTI Identifier:
- 1741139
- DOI:
- https://doi.org/10.17188/1741139
Citation Formats
The Materials Project. Materials Data on PuAsO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741139.
The Materials Project. Materials Data on PuAsO4 by Materials Project. United States. doi:https://doi.org/10.17188/1741139
The Materials Project. 2020.
"Materials Data on PuAsO4 by Materials Project". United States. doi:https://doi.org/10.17188/1741139. https://www.osti.gov/servlets/purl/1741139. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1741139,
title = {Materials Data on PuAsO4 by Materials Project},
author = {The Materials Project},
abstractNote = {PuAsO4 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 2.45–2.89 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.73 Å) and one longer (1.74 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Pu3+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Pu3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu3+ and one As5+ atom.},
doi = {10.17188/1741139},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}