U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PdCl2 by Materials Project
Abstract
PdCl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one chlorine molecule and one Pd3Cl5 cluster. In the Pd3Cl5 cluster, there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.31–2.47 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.32–2.34 Å. In the third Pd2+ site, Pd2+ is bonded in a T-shaped geometry to three Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.30–2.36 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two Pd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometrymore »
- Publication Date:
- Other Number(s):
- mp-1180041
- 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; Cl-Pd; PdCl2; crystal structure
- OSTI Identifier:
- 1717217
- DOI:
- https://doi.org/10.17188/1717217
Citation Formats
Materials Data on PdCl2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717217.
Materials Data on PdCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1717217
2020.
"Materials Data on PdCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1717217. https://www.osti.gov/servlets/purl/1717217. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1717217,
title = {Materials Data on PdCl2 by Materials Project},
abstractNote = {PdCl2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one chlorine molecule and one Pd3Cl5 cluster. In the Pd3Cl5 cluster, there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.31–2.47 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.32–2.34 Å. In the third Pd2+ site, Pd2+ is bonded in a T-shaped geometry to three Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.30–2.36 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two Pd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms.},
doi = {10.17188/1717217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}