U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmBi2Au by Materials Project
Abstract
SmAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded to four equivalent Au and eight Bi atoms to form a mixture of edge, face, and corner-sharing SmBi8Au4 cuboctahedra. All Sm–Au bond lengths are 3.30 Å. There are four shorter (3.33 Å) and four longer (3.55 Å) Sm–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.31 Å.
- Publication Date:
- Other Number(s):
- mp-1080419
- 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; Au-Bi-Sm; crystal structure; SmBi2Au
- OSTI Identifier:
- 1662657
- DOI:
- https://doi.org/10.17188/1662657
Citation Formats
Materials Data on SmBi2Au by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662657.
Materials Data on SmBi2Au by Materials Project. United States. doi:https://doi.org/10.17188/1662657
2020.
"Materials Data on SmBi2Au by Materials Project". United States. doi:https://doi.org/10.17188/1662657. https://www.osti.gov/servlets/purl/1662657. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1662657,
title = {Materials Data on SmBi2Au by Materials Project},
abstractNote = {SmAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded to four equivalent Au and eight Bi atoms to form a mixture of edge, face, and corner-sharing SmBi8Au4 cuboctahedra. All Sm–Au bond lengths are 3.30 Å. There are four shorter (3.33 Å) and four longer (3.55 Å) Sm–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.31 Å.},
doi = {10.17188/1662657},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}