U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmH3 by Materials Project
Abstract
SmH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Sm3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Sm–H bond distances ranging from 2.20–2.56 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Sm3+ atoms. In the second H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent Sm3+ atoms. In the third H1- site, H1- is bonded to four equivalent Sm3+ atoms to form a mixture of distorted edge, face, and corner-sharing HSm4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1192065
- 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; H-Sm; SmH3; crystal structure
- OSTI Identifier:
- 1738087
- DOI:
- https://doi.org/10.17188/1738087
Citation Formats
Materials Data on SmH3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738087.
Materials Data on SmH3 by Materials Project. United States. doi:https://doi.org/10.17188/1738087
2020.
"Materials Data on SmH3 by Materials Project". United States. doi:https://doi.org/10.17188/1738087. https://www.osti.gov/servlets/purl/1738087. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738087,
title = {Materials Data on SmH3 by Materials Project},
abstractNote = {SmH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Sm3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Sm–H bond distances ranging from 2.20–2.56 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Sm3+ atoms. In the second H1- site, H1- is bonded in a trigonal non-coplanar geometry to three equivalent Sm3+ atoms. In the third H1- site, H1- is bonded to four equivalent Sm3+ atoms to form a mixture of distorted edge, face, and corner-sharing HSm4 tetrahedra.},
doi = {10.17188/1738087},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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