U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pu2W2C3 by Materials Project
Abstract
Pu2W2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pu4+ is bonded to five C4- atoms to form PuC5 square pyramids that share corners with two equivalent PuC5 square pyramids, corners with seven equivalent WC4 trigonal pyramids, edges with five equivalent PuC5 square pyramids, and edges with three equivalent WC4 trigonal pyramids. There are a spread of Pu–C bond distances ranging from 2.44–2.56 Å. W2+ is bonded to four C4- atoms to form distorted WC4 trigonal pyramids that share corners with seven equivalent PuC5 square pyramids, corners with three equivalent WC4 trigonal pyramids, edges with three equivalent PuC5 square pyramids, and edges with two equivalent WC4 trigonal pyramids. There are a spread of W–C bond distances ranging from 2.05–2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Pu4+ and three equivalent W2+ atoms to form CPu3W3 octahedra that share corners with three equivalent CPu4W2 octahedra and edges with nine CPu3W3 octahedra. The corner-sharing octahedra tilt angles range from 15–29°. In the second C4- site, C4- is bonded to four equivalent Pu4+ and two equivalent W2+ atoms to form a mixture of corner and edge-sharing CPu4W2 octahedra. Themore »
- Publication Date:
- Other Number(s):
- mp-1025268
- 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; C-Pu-W; crystal structure; Pu2W2C3
- OSTI Identifier:
- 1355556
- DOI:
- https://doi.org/10.17188/1355556
Citation Formats
Materials Data on Pu2W2C3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355556.
Materials Data on Pu2W2C3 by Materials Project. United States. doi:https://doi.org/10.17188/1355556
2020.
"Materials Data on Pu2W2C3 by Materials Project". United States. doi:https://doi.org/10.17188/1355556. https://www.osti.gov/servlets/purl/1355556. Pub date:Sun Aug 02 20:00:00 EDT 2020
@article{osti_1355556,
title = {Materials Data on Pu2W2C3 by Materials Project},
abstractNote = {Pu2W2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pu4+ is bonded to five C4- atoms to form PuC5 square pyramids that share corners with two equivalent PuC5 square pyramids, corners with seven equivalent WC4 trigonal pyramids, edges with five equivalent PuC5 square pyramids, and edges with three equivalent WC4 trigonal pyramids. There are a spread of Pu–C bond distances ranging from 2.44–2.56 Å. W2+ is bonded to four C4- atoms to form distorted WC4 trigonal pyramids that share corners with seven equivalent PuC5 square pyramids, corners with three equivalent WC4 trigonal pyramids, edges with three equivalent PuC5 square pyramids, and edges with two equivalent WC4 trigonal pyramids. There are a spread of W–C bond distances ranging from 2.05–2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Pu4+ and three equivalent W2+ atoms to form CPu3W3 octahedra that share corners with three equivalent CPu4W2 octahedra and edges with nine CPu3W3 octahedra. The corner-sharing octahedra tilt angles range from 15–29°. In the second C4- site, C4- is bonded to four equivalent Pu4+ and two equivalent W2+ atoms to form a mixture of corner and edge-sharing CPu4W2 octahedra. The corner-sharing octahedra tilt angles range from 15–29°.},
doi = {10.17188/1355556},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}