Materials Data on SbH2SO3F7 by Materials Project

doi:10.17188/1686369

Title: Materials Data on SbH2SO3F7 by Materials Project

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Abstract

SbH2SO3F7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbH2SO3F7 ribbons oriented in the (2, 0, 1) direction. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. There are two 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 1.05 Å. The H–F bond length is 1.43 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 1.04 Å. The H–F bond length is 1.46 Å. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of S–O bond distances ranging from 1.41–1.51 Å. The S–F bond length is 1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1197346

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; SbH2SO3F7; F-H-O-S-Sb

OSTI Identifier:: 1686369

DOI:: https://doi.org/10.17188/1686369

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                    The Materials Project. Materials Data on SbH2SO3F7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686369.

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                    The Materials Project. Materials Data on SbH2SO3F7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686369

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                    The Materials Project. 2020.  
"Materials Data on SbH2SO3F7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686369.  https://www.osti.gov/servlets/purl/1686369. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1686369,

  title        = {Materials Data on SbH2SO3F7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SbH2SO3F7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbH2SO3F7 ribbons oriented in the (2, 0, 1) direction. Sb5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–1.98 Å. There are two 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 1.05 Å. The H–F bond length is 1.43 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 1.04 Å. The H–F bond length is 1.46 Å. S6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of S–O bond distances ranging from 1.41–1.51 Å. The S–F bond length is 1.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb5+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one S6+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb5+ and one H1+ atom.},

  doi          = {10.17188/1686369},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1686369

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