Materials Data on Ag4TeSO4 by Materials Project

doi:10.17188/1689206

Title: Materials Data on Ag4TeSO4 by Materials Project

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Abstract

Ag4SO4Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag4SO4 framework. In the Ag4SO4 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.46 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.45 Å) and one longer (2.64 Å) Ag–O bond lengths. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one S2- atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1199607

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; Ag4TeSO4; Ag-O-S-Te

OSTI Identifier:: 1689206

DOI:: https://doi.org/10.17188/1689206

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                    The Materials Project. Materials Data on Ag4TeSO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1689206.

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                    The Materials Project. Materials Data on Ag4TeSO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689206

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                    The Materials Project. 2020.  
"Materials Data on Ag4TeSO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689206.  https://www.osti.gov/servlets/purl/1689206. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1689206,

  title        = {Materials Data on Ag4TeSO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag4SO4Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag4SO4 framework. In the Ag4SO4 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.46 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.45 Å) and one longer (2.64 Å) Ag–O bond lengths. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one S2- atom.},

  doi          = {10.17188/1689206},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1689206

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