Materials Data on SbH8N2F5 by Materials Project

doi:10.17188/1725118

Title: Materials Data on SbH8N2F5 by Materials Project

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Abstract

(NH4)2SbF5 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two ammonium molecules and two SbNH4F5 ribbons oriented in the (0, 1, 0) direction. In each SbNH4F5 ribbon, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.15 Å. N3- is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.05 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.61 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb3+more » and one H1+ atom.« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1219526

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; SbH8N2F5; F-H-N-Sb

OSTI Identifier:: 1725118

DOI:: https://doi.org/10.17188/1725118

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                    The Materials Project. Materials Data on SbH8N2F5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1725118.

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                    The Materials Project. Materials Data on SbH8N2F5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1725118

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                    The Materials Project. 2019.  
"Materials Data on SbH8N2F5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1725118.  https://www.osti.gov/servlets/purl/1725118. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1725118,

  title        = {Materials Data on SbH8N2F5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NH4)2SbF5 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two ammonium molecules and two SbNH4F5 ribbons oriented in the (0, 1, 0) direction. In each SbNH4F5 ribbon, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.15 Å. N3- is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.05 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.61 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb3+ and one H1+ atom.},

  doi          = {10.17188/1725118},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1725118

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