U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThRe2 by Materials Project
Abstract
Re2Th is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Th–Re bond distances ranging from 3.18–3.31 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Th and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. All Re–Re bond lengths are 2.84 Å. In the second Re site, Re is bonded to six equivalent Th and six Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.75 Å) Re–Re bond lengths.
- Publication Date:
- Other Number(s):
- mp-1659
- 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; Re-Th; ThRe2; crystal structure
- OSTI Identifier:
- 1182267
- DOI:
- https://doi.org/10.17188/1182267
Citation Formats
Materials Data on ThRe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1182267.
Materials Data on ThRe2 by Materials Project. United States. doi:https://doi.org/10.17188/1182267
2020.
"Materials Data on ThRe2 by Materials Project". United States. doi:https://doi.org/10.17188/1182267. https://www.osti.gov/servlets/purl/1182267. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1182267,
title = {Materials Data on ThRe2 by Materials Project},
abstractNote = {Re2Th is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Th–Re bond distances ranging from 3.18–3.31 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Th and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. All Re–Re bond lengths are 2.84 Å. In the second Re site, Re is bonded to six equivalent Th and six Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.75 Å) Re–Re bond lengths.},
doi = {10.17188/1182267},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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