Materials Data on H13Se2N3O8 by Materials Project

doi:10.17188/1286361

Title: Materials Data on H13Se2N3O8 by Materials Project

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Abstract

NH4H9Se2(NO4)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ammonium molecules and four H9Se2(NO4)2 clusters. In each H9Se2(NO4)2 cluster, N+2.33+ is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.05 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33+ and one O2- atom. The H–O bond length is 1.75 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33+ atom. In the fifth H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. Se2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one H1+ and one Se2-more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-707274

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; H13Se2N3O8; H-N-O-Se

OSTI Identifier:: 1286361

DOI:: https://doi.org/10.17188/1286361

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                    The Materials Project. Materials Data on H13Se2N3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286361.

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                    The Materials Project. Materials Data on H13Se2N3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286361

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                    The Materials Project. 2020.  
"Materials Data on H13Se2N3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286361.  https://www.osti.gov/servlets/purl/1286361. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1286361,

  title        = {Materials Data on H13Se2N3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NH4H9Se2(NO4)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ammonium molecules and four H9Se2(NO4)2 clusters. In each H9Se2(NO4)2 cluster, N+2.33+ is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.03–1.05 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33+ and one O2- atom. The H–O bond length is 1.75 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+2.33+ atom. In the fifth H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.22 Å. Se2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one H1+ and one Se2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Se2- atom.},

  doi          = {10.17188/1286361},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1286361

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