Materials Data on H16PtC4(NCl3)2 by Materials Project

doi:10.17188/1284036

Title: Materials Data on H16PtC4(NCl3)2 by Materials Project

Abstract

PtCl6((CH3)2NH2)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four dimethylazanium molecules and two PtCl6 clusters. In each PtCl6 cluster, Pt2- is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.36 Å) and two longer (2.37 Å) Pt–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom.

Authors:: Persson, Kristin

Contributors:

Researcher:

Project, Materials

Publication Date:: 2020-04-30

Other Number(s):: mp-684919

DOE Contract Number:: AC02-05CH11231; EDCBEE

Product Type:: Dataset

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)

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; H16PtC4(NCl3)2; C-Cl-H-N-Pt

OSTI Identifier:: 1284036

DOI:: 10.17188/1284036

Citation Formats


                    Persson, Kristin, and Project, Materials. Materials Data on H16PtC4(NCl3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284036.

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                    Persson, Kristin, & Project, Materials. Materials Data on H16PtC4(NCl3)2 by Materials Project.  United States.  doi:10.17188/1284036.

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                    Persson, Kristin, and Project, Materials. 2020.  
"Materials Data on H16PtC4(NCl3)2 by Materials Project".  United States.  doi:10.17188/1284036.  https://www.osti.gov/servlets/purl/1284036. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1284036,

  title        = {Materials Data on H16PtC4(NCl3)2 by Materials Project},

  author       = {Persson, Kristin and Project, Materials},

  abstractNote = {PtCl6((CH3)2NH2)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four dimethylazanium molecules and two PtCl6 clusters. In each PtCl6 cluster, Pt2- is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.36 Å) and two longer (2.37 Å) Pt–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom.},

  doi          = {10.17188/1284036},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: 10.17188/1284036

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The Materials Project

Persson, Kristin

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

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Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)