Materials Data on Ag2BiO3 by Materials Project

doi:10.17188/1270463

Title: Materials Data on Ag2BiO3 by Materials Project

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Abstract

Ag2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.31 Å) Ag–O bond lengths. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. Bi3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Bi–O bond distances ranging from 2.23–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.50+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two equivalent Bi3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-558712

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; Ag2BiO3; Ag-Bi-O

OSTI Identifier:: 1270463

DOI:: https://doi.org/10.17188/1270463

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                    The Materials Project. Materials Data on Ag2BiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270463.

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                    The Materials Project. Materials Data on Ag2BiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270463

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                    The Materials Project. 2020.  
"Materials Data on Ag2BiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270463.  https://www.osti.gov/servlets/purl/1270463. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1270463,

  title        = {Materials Data on Ag2BiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a trigonal planar geometry to three O2- atoms. There are one shorter (2.25 Å) and two longer (2.31 Å) Ag–O bond lengths. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. Bi3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Bi–O bond distances ranging from 2.23–2.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ag+1.50+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two equivalent Bi3+ atoms.},

  doi          = {10.17188/1270463},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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