Materials Data on Ag5BiO4 by Materials Project

doi:10.17188/1202865

Title: Materials Data on Ag5BiO4 by Materials Project

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Abstract

Ag5BiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.12 Å. In the second 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 third Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.62 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.21 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.19 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. Bi3+ is bonded to five O2- atoms to form edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances rangingmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-28812

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; Ag5BiO4; Ag-Bi-O

OSTI Identifier:: 1202865

DOI:: https://doi.org/10.17188/1202865

Citation Formats


                    The Materials Project. Materials Data on Ag5BiO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202865.

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                    The Materials Project. Materials Data on Ag5BiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202865

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                    The Materials Project. 2020.  
"Materials Data on Ag5BiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202865.  https://www.osti.gov/servlets/purl/1202865. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1202865,

  title        = {Materials Data on Ag5BiO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag5BiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.12 Å. In the second 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 third Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.62 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.21 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.19 Å. In the sixth Ag1+ site, Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.11 Å) and one longer (2.12 Å) Ag–O bond lengths. Bi3+ is bonded to five O2- atoms to form edge-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.20–2.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form corner-sharing OAg3Bi tetrahedra. In the second O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form corner-sharing OAg3Bi tetrahedra. In the third O2- site, O2- is bonded to three Ag1+ and one Bi3+ atom to form distorted corner-sharing OAg3Bi tetrahedra. In the fourth O2- site, O2- is bonded to two Ag1+ and two equivalent Bi3+ atoms to form distorted OAg2Bi2 tetrahedra that share corners with eight OAg3Bi tetrahedra and an edgeedge with one OAg2Bi2 tetrahedra.},

  doi          = {10.17188/1202865},

  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/10.17188/1202865

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