Materials Data on SiC2(NF)6 by Materials Project

doi:10.17188/1653091

Title: Materials Data on SiC2(NF)6 by Materials Project

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Abstract

(CN3)2SiF6 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of four guanidine molecules and two SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.71 Å) and four longer (1.72 Å) Si–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1208996

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; SiC2(NF)6; C-F-N-Si

OSTI Identifier:: 1653091

DOI:: https://doi.org/10.17188/1653091

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                    The Materials Project. Materials Data on SiC2(NF)6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1653091.

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                    The Materials Project. Materials Data on SiC2(NF)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653091

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                    The Materials Project. 2019.  
"Materials Data on SiC2(NF)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653091.  https://www.osti.gov/servlets/purl/1653091. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1653091,

  title        = {Materials Data on SiC2(NF)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(CN3)2SiF6 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of four guanidine molecules and two SiF6 clusters. In each SiF6 cluster, Si4+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.71 Å) and four longer (1.72 Å) Si–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Si4+ atom.},

  doi          = {10.17188/1653091},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1653091

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