Materials Data on BaAgO2 by Materials Project

doi:10.17188/1727250

Title: Materials Data on BaAgO2 by Materials Project

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Abstract

BaAgO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BaO6 octahedra. The corner-sharing octahedra tilt angles range from 18–46°. There are a spread of Ba–O bond distances ranging from 2.72–2.79 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.11 Å) and two longer (2.94 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.11 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two Ag2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two Ag2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1096845

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; BaAgO2; Ag-Ba-O

OSTI Identifier:: 1727250

DOI:: https://doi.org/10.17188/1727250

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                    The Materials Project. Materials Data on BaAgO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727250.

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                    The Materials Project. Materials Data on BaAgO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727250

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                    The Materials Project. 2020.  
"Materials Data on BaAgO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727250.  https://www.osti.gov/servlets/purl/1727250. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1727250,

  title        = {Materials Data on BaAgO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaAgO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing BaO6 octahedra. The corner-sharing octahedra tilt angles range from 18–46°. There are a spread of Ba–O bond distances ranging from 2.72–2.79 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.11 Å) and two longer (2.94 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.07 Å) and two longer (2.11 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two Ag2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two Ag2+ atoms.},

  doi          = {10.17188/1727250},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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