Materials Data on Ag2PHO4 by Materials Project

doi:10.17188/1286329

Title: Materials Data on Ag2PHO4 by Materials Project

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Abstract

Ag2PHO4 crystallizes in the trigonal P3_112 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.25 Å) and two longer (2.68 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.80 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.57 Å) P–O bond length. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Ag1+, one P5+, and one H1+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-707138

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; Ag2PHO4; Ag-H-O-P

OSTI Identifier:: 1286329

DOI:: https://doi.org/10.17188/1286329

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                    The Materials Project. Materials Data on Ag2PHO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286329.

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                    The Materials Project. Materials Data on Ag2PHO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286329

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                    The Materials Project. 2020.  
"Materials Data on Ag2PHO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286329.  https://www.osti.gov/servlets/purl/1286329. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1286329,

  title        = {Materials Data on Ag2PHO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2PHO4 crystallizes in the trigonal P3_112 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.25 Å) and two longer (2.68 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.80 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.57 Å) P–O bond length. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Ag1+, one P5+, and one H1+ atom.},

  doi          = {10.17188/1286329},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1286329

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