Materials Data on H8Se(NO2)2 by Materials Project

doi:10.17188/1199703

Title: Materials Data on H8Se(NO2)2 by Materials Project

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Abstract

(NH4)2SeO4 is Iron carbide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight ammonium molecules and four SeO4 clusters. In each SeO4 cluster, Se2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to 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 distorted single-bond geometry to one Se2- atom.

Publication Date:: 2020-07-15

Other Number(s):: mp-23745

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; H-N-O-Se; H8Se(NO2)2; crystal structure

OSTI Identifier:: 1199703

DOI:: https://doi.org/10.17188/1199703

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                    Materials Data on H8Se(NO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199703.

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                    Materials Data on H8Se(NO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199703

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                    2020.  
"Materials Data on H8Se(NO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199703.  https://www.osti.gov/servlets/purl/1199703. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199703,

  title        = {Materials Data on H8Se(NO2)2 by Materials Project},

  
  abstractNote = {(NH4)2SeO4 is Iron carbide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight ammonium molecules and four SeO4 clusters. In each SeO4 cluster, Se2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to 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 distorted single-bond geometry to one Se2- atom.},

  doi          = {10.17188/1199703},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199703

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