Materials Data on CrSi(Ag3O4)2 by Materials Project

doi:10.17188/1674787

Title: Materials Data on CrSi(Ag3O4)2 by Materials Project

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Abstract

CrSi(Ag3O4)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.68 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.23 Å) and two longer (2.52 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.44 Å) and two longer (2.46 Å) Ag–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and three Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1200173

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; CrSi(Ag3O4)2; Ag-Cr-O-Si

OSTI Identifier:: 1674787

DOI:: https://doi.org/10.17188/1674787

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                    The Materials Project. Materials Data on CrSi(Ag3O4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674787.

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                    The Materials Project. Materials Data on CrSi(Ag3O4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674787

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                    The Materials Project. 2020.  
"Materials Data on CrSi(Ag3O4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674787.  https://www.osti.gov/servlets/purl/1674787. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1674787,

  title        = {Materials Data on CrSi(Ag3O4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrSi(Ag3O4)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.68 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.23 Å) and two longer (2.52 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.44 Å) and two longer (2.46 Å) Ag–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ and three Ag1+ atoms.},

  doi          = {10.17188/1674787},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674787

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