Materials Data on CuSiH12(OF)6 by Materials Project

doi:10.17188/1287419

Title: Materials Data on CuSiH12(OF)6 by Materials Project

Abstract

Cu(H2O)6SiF6 is Tetraauricupride structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of twelve copper hexahydrate molecules and twelve SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Si–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to one Si4+ atom.

Publication Date:: 2020-06-04

Other Number(s):: mp-721943

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; CuSiH12(OF)6; Cu-F-H-O-Si

OSTI Identifier:: 1287419

DOI:: 10.17188/1287419

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                    The Materials Project. Materials Data on CuSiH12(OF)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287419.

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                    The Materials Project. Materials Data on CuSiH12(OF)6 by Materials Project.  United States.  doi:10.17188/1287419.

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                    The Materials Project. 2020.  
"Materials Data on CuSiH12(OF)6 by Materials Project".  United States.  doi:10.17188/1287419.  https://www.osti.gov/servlets/purl/1287419. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1287419,

  title        = {Materials Data on CuSiH12(OF)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu(H2O)6SiF6 is Tetraauricupride structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of twelve copper hexahydrate molecules and twelve SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Si–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to one Si4+ atom.},

  doi          = {10.17188/1287419},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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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)