U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmAs3 by Materials Project
Abstract
SmAs3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to twelve As1- atoms to form a mixture of edge, face, and corner-sharing SmAs12 cuboctahedra. There are four shorter (2.93 Å) and eight longer (3.26 Å) Sm–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. All As–As bond lengths are 2.93 Å. In the second As1- site, As1- is bonded in a square co-planar geometry to four equivalent Sm3+ atoms.
- Publication Date:
- Other Number(s):
- mp-972722
- 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-Sm; SmAs3; crystal structure
- OSTI Identifier:
- 1313906
- DOI:
- https://doi.org/10.17188/1313906
Citation Formats
Materials Data on SmAs3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313906.
Materials Data on SmAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1313906
2020.
"Materials Data on SmAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1313906. https://www.osti.gov/servlets/purl/1313906. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1313906,
title = {Materials Data on SmAs3 by Materials Project},
abstractNote = {SmAs3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to twelve As1- atoms to form a mixture of edge, face, and corner-sharing SmAs12 cuboctahedra. There are four shorter (2.93 Å) and eight longer (3.26 Å) Sm–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. All As–As bond lengths are 2.93 Å. In the second As1- site, As1- is bonded in a square co-planar geometry to four equivalent Sm3+ atoms.},
doi = {10.17188/1313906},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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