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.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1182267
- Report Number(s):
- mp-1659
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; ThRe2; Re-Th
Citation Formats
The Materials Project. Materials Data on ThRe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1182267.
The Materials Project. Materials Data on ThRe2 by Materials Project. United States. https://doi.org/10.17188/1182267
The Materials Project. 2020.
"Materials Data on ThRe2 by Materials Project". United States. https://doi.org/10.17188/1182267. https://www.osti.gov/servlets/purl/1182267.
@article{osti_1182267,
title = {Materials Data on ThRe2 by Materials Project},
author = {The 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},
url = {https://www.osti.gov/biblio/1182267},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}
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