Materials Data on AgAsO3 by Materials Project

doi:10.17188/1303488

Title: Materials Data on AgAsO3 by Materials Project

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Abstract

AgAsO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with eight equivalent AsO4 tetrahedra and edges with three equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.30–2.93 Å. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent AsO4 tetrahedra and edges with five AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.37–2.61 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with seven AgO6 octahedra and corners with two equivalent AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 31–65°. There are a spread of As–O bond distances ranging from 1.68–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one As5+ atom. In the thirdmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-775767

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; AgAsO3; Ag-As-O

OSTI Identifier:: 1303488

DOI:: https://doi.org/10.17188/1303488

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                    The Materials Project. Materials Data on AgAsO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1303488.

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                    The Materials Project. Materials Data on AgAsO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1303488

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                    The Materials Project. 2020.  
"Materials Data on AgAsO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1303488.  https://www.osti.gov/servlets/purl/1303488. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1303488,

  title        = {Materials Data on AgAsO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgAsO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with eight equivalent AsO4 tetrahedra and edges with three equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.30–2.93 Å. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent AsO4 tetrahedra and edges with five AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.37–2.61 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with seven AgO6 octahedra and corners with two equivalent AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 31–65°. There are a spread of As–O bond distances ranging from 1.68–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and two equivalent As5+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Ag1+ and one As5+ atom.},

  doi          = {10.17188/1303488},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1303488

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