U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pd16S7 by Materials Project
Abstract
Pd16S7 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Pd16S7 frameworks. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two S atoms. There are one shorter (2.29 Å) and one longer (2.34 Å) Pd–S bond lengths. In the second Pd site, Pd is bonded in a distorted trigonal non-coplanar geometry to three equivalent S atoms. All Pd–S bond lengths are 2.51 Å. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent Pd atoms to form distorted corner-sharing SPd4 trigonal pyramids. In the second S site, S is bonded to six Pd atoms to form distorted SPd6 pentagonal pyramids that share corners with three equivalent SPd4 trigonal pyramids and edges with three equivalent SPd6 pentagonal pyramids.
- Publication Date:
- Other Number(s):
- mp-393
- 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; Pd-S; Pd16S7; crystal structure
- OSTI Identifier:
- 1207641
- DOI:
- https://doi.org/10.17188/1207641
Citation Formats
Materials Data on Pd16S7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207641.
Materials Data on Pd16S7 by Materials Project. United States. doi:https://doi.org/10.17188/1207641
2020.
"Materials Data on Pd16S7 by Materials Project". United States. doi:https://doi.org/10.17188/1207641. https://www.osti.gov/servlets/purl/1207641. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1207641,
title = {Materials Data on Pd16S7 by Materials Project},
abstractNote = {Pd16S7 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Pd16S7 frameworks. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two S atoms. There are one shorter (2.29 Å) and one longer (2.34 Å) Pd–S bond lengths. In the second Pd site, Pd is bonded in a distorted trigonal non-coplanar geometry to three equivalent S atoms. All Pd–S bond lengths are 2.51 Å. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent Pd atoms to form distorted corner-sharing SPd4 trigonal pyramids. In the second S site, S is bonded to six Pd atoms to form distorted SPd6 pentagonal pyramids that share corners with three equivalent SPd4 trigonal pyramids and edges with three equivalent SPd6 pentagonal pyramids.},
doi = {10.17188/1207641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}