U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmAs2Au by Materials Project
Abstract
SmAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.21 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are a spread of Au–As bond distances ranging from 2.81–2.84 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.65 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.
- Publication Date:
- Other Number(s):
- mp-978809
- 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; As-Au-Sm; SmAs2Au; crystal structure
- OSTI Identifier:
- 1315994
- DOI:
- https://doi.org/10.17188/1315994
Citation Formats
Materials Data on SmAs2Au by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315994.
Materials Data on SmAs2Au by Materials Project. United States. doi:https://doi.org/10.17188/1315994
2020.
"Materials Data on SmAs2Au by Materials Project". United States. doi:https://doi.org/10.17188/1315994. https://www.osti.gov/servlets/purl/1315994. Pub date:Fri Jul 17 04:00:00 UTC 2020
@article{osti_1315994,
title = {Materials Data on SmAs2Au by Materials Project},
abstractNote = {SmAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.21 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are a spread of Au–As bond distances ranging from 2.81–2.84 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.65 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.},
doi = {10.17188/1315994},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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