Materials Data on H4OF2 by Materials Project

doi:10.17188/1199735

Title: Materials Data on H4OF2 by Materials Project

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Abstract

(HF)2H2O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one (HF)2H2O sheet oriented in the (1, 0, 0) direction. there are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.46 Å. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.46 Å. In the third H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.52 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.04 Å) and one longer (1.32 Å) H–F bond length. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three H1+ atoms. In the second F1- site,more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-23798

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; H4OF2; F-H-O

OSTI Identifier:: 1199735

DOI:: https://doi.org/10.17188/1199735

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                    The Materials Project. Materials Data on H4OF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199735.

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                    The Materials Project. Materials Data on H4OF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199735

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                    The Materials Project. 2020.  
"Materials Data on H4OF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199735.  https://www.osti.gov/servlets/purl/1199735. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199735,

  title        = {Materials Data on H4OF2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(HF)2H2O crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one (HF)2H2O sheet oriented in the (1, 0, 0) direction. there are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.46 Å. In the second H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.46 Å. In the third H1+ site, H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.02 Å. The H–F bond length is 1.52 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two F1- atoms. There is one shorter (1.04 Å) and one longer (1.32 Å) H–F bond length. O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three H1+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two H1+ atoms.},

  doi          = {10.17188/1199735},

  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/10.17188/1199735

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