Materials Data on Ag2BiO3 by Materials Project

doi:10.17188/1199591

Title: Materials Data on Ag2BiO3 by Materials Project

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Abstract

Ag2BiO3 crystallizes in the orthorhombic Pnn2 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 a spread of Ag–O bond distances ranging from 2.24–2.31 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, 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 36°. There are a spread of Bi–O bond distances ranging from 2.16–2.24 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Bi–O bond distances ranging from 2.33–2.36 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two Bi3+ atoms. In the second O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jun 07 00:00:00 EDT 2017

Other Number(s):: mp-23558

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:: 1199591

DOI:: https://doi.org/10.17188/1199591

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                    The Materials Project. Materials Data on Ag2BiO3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1199591.

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                    The Materials Project. Materials Data on Ag2BiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199591

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                    The Materials Project. 2017.  
"Materials Data on Ag2BiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199591.  https://www.osti.gov/servlets/purl/1199591. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1199591,

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

  author       = {The Materials Project},

  abstractNote = {Ag2BiO3 crystallizes in the orthorhombic Pnn2 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 a spread of Ag–O bond distances ranging from 2.24–2.31 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, 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 36°. There are a spread of Bi–O bond distances ranging from 2.16–2.24 Å. In the second Bi3+ site, Bi3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Bi–O bond distances ranging from 2.33–2.36 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ag+1.50+ and two Bi3+ atoms. In the second O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra. In the third O2- site, O2- is bonded to two Ag+1.50+ and two Bi3+ atoms to form a mixture of edge and corner-sharing OAg2Bi2 tetrahedra.},

  doi          = {10.17188/1199591},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jun 07 00:00:00 EDT 2017},

  month        = {Wed Jun 07 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1199591

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