U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PuRe2 by Materials Project
Abstract
PuRe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pu is bonded in a 10-coordinate geometry to one Pu and twelve Re atoms. The Pu–Pu bond length is 2.33 Å. There are a spread of Pu–Re bond distances ranging from 3.02–3.35 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of face, edge, and corner-sharing RePu6Re6 cuboctahedra. All Re–Re bond lengths are 2.60 Å. In the second Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.67–2.91 Å. In the third Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1103797
- 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-Re; PuRe2; crystal structure
- OSTI Identifier:
- 1682191
- DOI:
- https://doi.org/10.17188/1682191
Citation Formats
Materials Data on PuRe2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1682191.
Materials Data on PuRe2 by Materials Project. United States. doi:https://doi.org/10.17188/1682191
2018.
"Materials Data on PuRe2 by Materials Project". United States. doi:https://doi.org/10.17188/1682191. https://www.osti.gov/servlets/purl/1682191. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1682191,
title = {Materials Data on PuRe2 by Materials Project},
abstractNote = {PuRe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pu is bonded in a 10-coordinate geometry to one Pu and twelve Re atoms. The Pu–Pu bond length is 2.33 Å. There are a spread of Pu–Re bond distances ranging from 3.02–3.35 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of face, edge, and corner-sharing RePu6Re6 cuboctahedra. All Re–Re bond lengths are 2.60 Å. In the second Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.67–2.91 Å. In the third Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra.},
doi = {10.17188/1682191},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}