Materials Data on Ag2P2PdO7 by Materials Project

doi:10.17188/1663616

Title: Materials Data on Ag2P2PdO7 by Materials Project

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Abstract

PdAg2P2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Pd–O bond lengths. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.76 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ag1+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Pd2+, two equivalent Ag1+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pd2+, one Ag1+, and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1190325

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; Ag2P2PdO7; Ag-O-P-Pd

OSTI Identifier:: 1663616

DOI:: https://doi.org/10.17188/1663616

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                    The Materials Project. Materials Data on Ag2P2PdO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663616.

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                    The Materials Project. Materials Data on Ag2P2PdO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663616

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                    The Materials Project. 2020.  
"Materials Data on Ag2P2PdO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663616.  https://www.osti.gov/servlets/purl/1663616. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1663616,

  title        = {Materials Data on Ag2P2PdO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdAg2P2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Pd–O bond lengths. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.76 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ag1+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Pd2+, two equivalent Ag1+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Pd2+, one Ag1+, and one P5+ atom.},

  doi          = {10.17188/1663616},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1663616

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