U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pu2Se3 by Materials Project
Abstract
Pu2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.90–3.16 Å. In the second Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.92–3.10 Å. In the third Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.94–3.12 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePu5 squaremore »
- Publication Date:
- Other Number(s):
- mp-32672
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Pu-Se; Pu2Se3; crystal structure
- OSTI Identifier:
- 1206343
- DOI:
- https://doi.org/10.17188/1206343
Citation Formats
Materials Data on Pu2Se3 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1206343.
Materials Data on Pu2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1206343
2014.
"Materials Data on Pu2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1206343. https://www.osti.gov/servlets/purl/1206343. Pub date:Wed Feb 26 04:00:00 UTC 2014
@article{osti_1206343,
title = {Materials Data on Pu2Se3 by Materials Project},
abstractNote = {Pu2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.90–3.16 Å. In the second Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.92–3.10 Å. In the third Pu3+ site, Pu3+ is bonded to eight Se2- atoms to form a mixture of distorted edge, face, and corner-sharing PuSe8 hexagonal bipyramids. There are a spread of Pu–Se bond distances ranging from 2.94–3.12 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePu5 square pyramids. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Pu3+ atoms. In the third Se2- site, Se2- is bonded to five Pu3+ atoms to form a mixture of distorted edge, face, and corner-sharing SePu5 square pyramids.},
doi = {10.17188/1206343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}