U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P2Pd3S8 by Materials Project
Abstract
Pd3(PS4)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pd3(PS4)2 sheet oriented in the (0, 0, 1) direction. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.36 Å. P5+ is bonded in a distorted tetrahedral geometry to four S2- atoms. There are one shorter (1.91 Å) and three longer (2.13 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to two equivalent Pd2+ and one P5+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-3006
- 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; P-Pd-S; P2Pd3S8; crystal structure
- OSTI Identifier:
- 1204487
- DOI:
- https://doi.org/10.17188/1204487
Citation Formats
Materials Data on P2Pd3S8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204487.
Materials Data on P2Pd3S8 by Materials Project. United States. doi:https://doi.org/10.17188/1204487
2020.
"Materials Data on P2Pd3S8 by Materials Project". United States. doi:https://doi.org/10.17188/1204487. https://www.osti.gov/servlets/purl/1204487. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204487,
title = {Materials Data on P2Pd3S8 by Materials Project},
abstractNote = {Pd3(PS4)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pd3(PS4)2 sheet oriented in the (0, 0, 1) direction. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.36 Å. P5+ is bonded in a distorted tetrahedral geometry to four S2- atoms. There are one shorter (1.91 Å) and three longer (2.13 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to two equivalent Pd2+ and one P5+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1204487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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