Materials Data on ZnSi(AgO2)2 by Materials Project

doi:10.17188/1313156

Title: Materials Data on ZnSi(AgO2)2 by Materials Project

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Abstract

Ag2ZnSiO4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.36–2.48 Å. In the second Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.37–2.55 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and corners with eight AgO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–1.99 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with eight AgO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. There are four inequivalent O2- sites. Inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-9359

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; ZnSi(AgO2)2; Ag-O-Si-Zn

OSTI Identifier:: 1313156

DOI:: https://doi.org/10.17188/1313156

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                    The Materials Project. Materials Data on ZnSi(AgO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313156.

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                    The Materials Project. Materials Data on ZnSi(AgO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313156

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                    The Materials Project. 2020.  
"Materials Data on ZnSi(AgO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313156.  https://www.osti.gov/servlets/purl/1313156. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1313156,

  title        = {Materials Data on ZnSi(AgO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2ZnSiO4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four O2- atoms to form AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.36–2.48 Å. In the second Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra, corners with four equivalent ZnO4 tetrahedra, and corners with four equivalent SiO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.37–2.55 Å. Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and corners with eight AgO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–1.99 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent ZnO4 tetrahedra and corners with eight AgO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+, one Zn2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+, one Zn2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+, one Zn2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Ag1+, one Zn2+, and one Si4+ atom.},

  doi          = {10.17188/1313156},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313156

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