Materials Data on AgH36S8I2(N3O4)3 by Materials Project

doi:10.17188/1729144

Title: Materials Data on AgH36S8I2(N3O4)3 by Materials Project

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Abstract

Ag(S2O3)4(NH4)9(I)2 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of thirty-six ammonium molecules, eight hydriodic acid molecules, and four Ag(S2O3)4 clusters. In each Ag(S2O3)4 cluster, Ag1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Ag1+ and one S2- atom. The S–S bond length is 2.03 Å. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to one S2- and three O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.

Authors:: The Materials Project

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

Other Number(s):: mp-1196199

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; AgH36S8I2(N3O4)3; Ag-H-I-N-O-S

OSTI Identifier:: 1729144

DOI:: https://doi.org/10.17188/1729144

Citation Formats


                    The Materials Project. Materials Data on AgH36S8I2(N3O4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729144.

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                    The Materials Project. Materials Data on AgH36S8I2(N3O4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729144

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                    The Materials Project. 2020.  
"Materials Data on AgH36S8I2(N3O4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729144.  https://www.osti.gov/servlets/purl/1729144. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1729144,

  title        = {Materials Data on AgH36S8I2(N3O4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag(S2O3)4(NH4)9(I)2 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of thirty-six ammonium molecules, eight hydriodic acid molecules, and four Ag(S2O3)4 clusters. In each Ag(S2O3)4 cluster, Ag1+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Ag–S bond lengths are 2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Ag1+ and one S2- atom. The S–S bond length is 2.03 Å. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to one S2- and three O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.},

  doi          = {10.17188/1729144},

  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/10.17188/1729144

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