Materials Data on Ag25(BiO6)3 by Materials Project

doi:10.17188/1202794

Title: Materials Data on Ag25(BiO6)3 by Materials Project

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Abstract

Ag25(BiO6)3 is Potassium Silver Cyanide-derived structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.21 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ag–O bond lengths are 2.58 Å. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.17 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. There are two inequivalent Bi+3.67+ sites. In the first Bi+3.67+ site, Bi+3.67+ is bonded in an octahedral geometry to sixmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-28729

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; Ag25(BiO6)3; Ag-Bi-O

OSTI Identifier:: 1202794

DOI:: https://doi.org/10.17188/1202794

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                    The Materials Project. Materials Data on Ag25(BiO6)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202794.

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                    The Materials Project. Materials Data on Ag25(BiO6)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202794

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                    The Materials Project. 2020.  
"Materials Data on Ag25(BiO6)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202794.  https://www.osti.gov/servlets/purl/1202794. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1202794,

  title        = {Materials Data on Ag25(BiO6)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag25(BiO6)3 is Potassium Silver Cyanide-derived structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.16 Å) and one longer (2.21 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.13 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ag–O bond lengths are 2.58 Å. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.17 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. There are two inequivalent Bi+3.67+ sites. In the first Bi+3.67+ site, Bi+3.67+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.20 Å. In the second Bi+3.67+ site, Bi+3.67+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.27 Å) and three longer (2.46 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Bi+3.67+ atom. In the second O2- site, O2- is bonded to three Ag1+ and one Bi+3.67+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded to three Ag1+ and one Bi+3.67+ atom to form corner-sharing OAg3Bi tetrahedra.},

  doi          = {10.17188/1202794},

  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/10.17188/1202794

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