U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaSn3Pd by Materials Project
Abstract
BaPdSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Sn atoms. There are four shorter (3.90 Å) and one longer (3.99 Å) Ba–Pd bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.65–3.78 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.69 Å) and four longer (2.74 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Sn atoms.
- Publication Date:
- Other Number(s):
- mp-11269
- 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; Ba-Pd-Sn; BaSn3Pd; crystal structure
- OSTI Identifier:
- 1187690
- DOI:
- https://doi.org/10.17188/1187690
Citation Formats
Materials Data on BaSn3Pd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187690.
Materials Data on BaSn3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1187690
2020.
"Materials Data on BaSn3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1187690. https://www.osti.gov/servlets/purl/1187690. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1187690,
title = {Materials Data on BaSn3Pd by Materials Project},
abstractNote = {BaPdSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pd and twelve Sn atoms. There are four shorter (3.90 Å) and one longer (3.99 Å) Ba–Pd bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.65–3.78 Å. Pd is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.69 Å) and four longer (2.74 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pd, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Ba, one Pd, and four equivalent Sn atoms.},
doi = {10.17188/1187690},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}