Materials Data on CuAg4TeO6 by Materials Project

doi:10.17188/1268850

Title: Materials Data on CuAg4TeO6 by Materials Project

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Abstract

Ag4CuTeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–2.75 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.86 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.90 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share edges with two equivalent CuO6 octahedra and edges with three equivalent TeO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.98–2.59 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with three equivalent CuO6 octahedra. There are a spread of Te–O bond distances ranging from 1.97–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Ag1+ and one Te6+ atom. In the secondmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-555515

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; CuAg4TeO6; Ag-Cu-O-Te

OSTI Identifier:: 1268850

DOI:: https://doi.org/10.17188/1268850

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                    The Materials Project. Materials Data on CuAg4TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268850.

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                    The Materials Project. Materials Data on CuAg4TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268850

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                    The Materials Project. 2020.  
"Materials Data on CuAg4TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268850.  https://www.osti.gov/servlets/purl/1268850. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1268850,

  title        = {Materials Data on CuAg4TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag4CuTeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–2.75 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.86 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.90 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share edges with two equivalent CuO6 octahedra and edges with three equivalent TeO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.98–2.59 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with three equivalent CuO6 octahedra. There are a spread of Te–O bond distances ranging from 1.97–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Ag1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three Ag1+, two equivalent Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ag1+, one Cu2+, and one Te6+ atom.},

  doi          = {10.17188/1268850},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268850

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