U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PtCl2 by Materials Project
Abstract
PtCl2 is Hg_xSn-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two PtCl2 clusters. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a 2-coordinate geometry to one Pt2+ and three Cl1- atoms. The Pt–Pt bond length is 2.48 Å. There are two shorter (2.19 Å) and one longer (3.02 Å) Pt–Cl bond lengths. In the second Pt2+ site, Pt2+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.20 Å) and one longer (2.34 Å) Pt–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 7-coordinate geometry to three Pt2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ and one Cl1- atom. The Cl–Cl bond length is 2.79 Å. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cl1- atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1179938
- 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; PtCl2; Cl-Pt
- OSTI Identifier:
- 1676010
- DOI:
- https://doi.org/10.17188/1676010
Citation Formats
The Materials Project. Materials Data on PtCl2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676010.
The Materials Project. Materials Data on PtCl2 by Materials Project. United States. doi:https://doi.org/10.17188/1676010
The Materials Project. 2019.
"Materials Data on PtCl2 by Materials Project". United States. doi:https://doi.org/10.17188/1676010. https://www.osti.gov/servlets/purl/1676010. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1676010,
title = {Materials Data on PtCl2 by Materials Project},
author = {The Materials Project},
abstractNote = {PtCl2 is Hg_xSn-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two PtCl2 clusters. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in a 2-coordinate geometry to one Pt2+ and three Cl1- atoms. The Pt–Pt bond length is 2.48 Å. There are two shorter (2.19 Å) and one longer (3.02 Å) Pt–Cl bond lengths. In the second Pt2+ site, Pt2+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.20 Å) and one longer (2.34 Å) Pt–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 7-coordinate geometry to three Pt2+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ and one Cl1- atom. The Cl–Cl bond length is 2.79 Å. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cl1- atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom.},
doi = {10.17188/1676010},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}