U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiSnPd5 by Materials Project
Abstract
Pd5SnSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent Sn atoms to form PdSn4Pd8 cuboctahedra that share corners with four equivalent PdSn4Pd8 cuboctahedra, faces with four equivalent PdSn4Pd8 cuboctahedra, and faces with four equivalent SnPd12 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. All Pd–Sn bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd, two equivalent Sn, and two equivalent Si atoms. Both Pd–Sn bond lengths are 2.89 Å. Both Pd–Si bond lengths are 2.47 Å. Sn is bonded to twelve Pd atoms to form SnPd12 cuboctahedra that share corners with four equivalent SnPd12 cuboctahedra, faces with four equivalent PdSn4Pd8 cuboctahedra, and faces with four equivalent SnPd12 cuboctahedra. Si is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1077994
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; SiSnPd5; Pd-Si-Sn
- OSTI Identifier:
- 1677774
- DOI:
- https://doi.org/10.17188/1677774
Citation Formats
The Materials Project. Materials Data on SiSnPd5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677774.
The Materials Project. Materials Data on SiSnPd5 by Materials Project. United States. doi:https://doi.org/10.17188/1677774
The Materials Project. 2020.
"Materials Data on SiSnPd5 by Materials Project". United States. doi:https://doi.org/10.17188/1677774. https://www.osti.gov/servlets/purl/1677774. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677774,
title = {Materials Data on SiSnPd5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd5SnSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent Sn atoms to form PdSn4Pd8 cuboctahedra that share corners with four equivalent PdSn4Pd8 cuboctahedra, faces with four equivalent PdSn4Pd8 cuboctahedra, and faces with four equivalent SnPd12 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. All Pd–Sn bond lengths are 2.84 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd, two equivalent Sn, and two equivalent Si atoms. Both Pd–Sn bond lengths are 2.89 Å. Both Pd–Si bond lengths are 2.47 Å. Sn is bonded to twelve Pd atoms to form SnPd12 cuboctahedra that share corners with four equivalent SnPd12 cuboctahedra, faces with four equivalent PdSn4Pd8 cuboctahedra, and faces with four equivalent SnPd12 cuboctahedra. Si is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.},
doi = {10.17188/1677774},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}