Materials Data on SiH12N2(O2F3)2 by Materials Project

doi:10.17188/1288152

Title: Materials Data on SiH12N2(O2F3)2 by Materials Project

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Abstract

H2SiF2(NH2OF)2(H3OF)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four difluorosilane molecules, four hydrogen molecules, eight water-hydrogen fluoride molecules, and eight NH2OF clusters. In each NH2OF cluster, N1- is bonded in a trigonal planar geometry to two H1+ and one O2- atom. There is one shorter (1.06 Å) and one longer (1.52 Å) N–H bond length. The N–O bond length is 1.21 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one N1- and one F1- atom. The H–F bond length is 1.03 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. O2- is bonded in a single-bond geometry to one N1- atom. F1- is bonded in a single-bond geometry to one H1+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-743965

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; SiH12N2(O2F3)2; F-H-N-O-Si

OSTI Identifier:: 1288152

DOI:: https://doi.org/10.17188/1288152

Citation Formats


                    The Materials Project. Materials Data on SiH12N2(O2F3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288152.

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                    The Materials Project. Materials Data on SiH12N2(O2F3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288152

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                    The Materials Project. 2020.  
"Materials Data on SiH12N2(O2F3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288152.  https://www.osti.gov/servlets/purl/1288152. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1288152,

  title        = {Materials Data on SiH12N2(O2F3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {H2SiF2(NH2OF)2(H3OF)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four difluorosilane molecules, four hydrogen molecules, eight water-hydrogen fluoride molecules, and eight NH2OF clusters. In each NH2OF cluster, N1- is bonded in a trigonal planar geometry to two H1+ and one O2- atom. There is one shorter (1.06 Å) and one longer (1.52 Å) N–H bond length. The N–O bond length is 1.21 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one N1- and one F1- atom. The H–F bond length is 1.03 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1- atom. O2- is bonded in a single-bond geometry to one N1- atom. F1- is bonded in a single-bond geometry to one H1+ atom.},

  doi          = {10.17188/1288152},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288152

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