Materials Data on Ag5PSeO4 by Materials Project

doi:10.17188/1656206

Title: Materials Data on Ag5PSeO4 by Materials Project

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Abstract

Ag5PSeO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Se2- and two equivalent O2- atoms. There are one shorter (2.60 Å) and one longer (3.13 Å) Ag–Se bond lengths. Both Ag–O bond lengths are 2.38 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.48 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.57 Å. Se2- is bonded in a 8-coordinate geometry to eight equivalent Ag1+ atoms. O2- is bonded in a distorted single-bond geometry to three Ag1+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-1191916

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; Ag5PSeO4; Ag-O-P-Se

OSTI Identifier:: 1656206

DOI:: https://doi.org/10.17188/1656206

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                    The Materials Project. Materials Data on Ag5PSeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1656206.

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                    The Materials Project. Materials Data on Ag5PSeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656206

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                    The Materials Project. 2020.  
"Materials Data on Ag5PSeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656206.  https://www.osti.gov/servlets/purl/1656206. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1656206,

  title        = {Materials Data on Ag5PSeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag5PSeO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Se2- and two equivalent O2- atoms. There are one shorter (2.60 Å) and one longer (3.13 Å) Ag–Se bond lengths. Both Ag–O bond lengths are 2.38 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.48 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.57 Å. Se2- is bonded in a 8-coordinate geometry to eight equivalent Ag1+ atoms. O2- is bonded in a distorted single-bond geometry to three Ag1+ and one P5+ atom.},

  doi          = {10.17188/1656206},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1656206

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