Materials Data on SnH20C6(NCl3)2 by Materials Project

doi:10.17188/1275647

Title: Materials Data on SnH20C6(NCl3)2 by Materials Project

Abstract

(C3H7NH3)2SnCl6 is Silicon tetrafluoride-derived structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight trimethylazanium molecules and four SnCl6 clusters. In each SnCl6 cluster, Sn2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Sn–Cl bond lengths are 2.48 Å. Cl1- is bonded in a single-bond geometry to one Sn2+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-570348

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; SnH20C6(NCl3)2; C-Cl-H-N-Sn

OSTI Identifier:: 1275647

DOI:: 10.17188/1275647

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                    The Materials Project. Materials Data on SnH20C6(NCl3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275647.

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                    The Materials Project. Materials Data on SnH20C6(NCl3)2 by Materials Project.  United States.  doi:10.17188/1275647.

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                    The Materials Project. 2020.  
"Materials Data on SnH20C6(NCl3)2 by Materials Project".  United States.  doi:10.17188/1275647.  https://www.osti.gov/servlets/purl/1275647. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1275647,

  title        = {Materials Data on SnH20C6(NCl3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(C3H7NH3)2SnCl6 is Silicon tetrafluoride-derived structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight trimethylazanium molecules and four SnCl6 clusters. In each SnCl6 cluster, Sn2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Sn–Cl bond lengths are 2.48 Å. Cl1- is bonded in a single-bond geometry to one Sn2+ atom.},

  doi          = {10.17188/1275647},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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The Materials Project

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)