Materials Data on Ag2GeSe3 by Materials Project

doi:10.17188/1681234

Title: Materials Data on Ag2GeSe3 by Materials Project

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Abstract

Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.65–2.71 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten equivalent AgSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.37–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SeAg3Ge tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SeAg2Ge2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1096802

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; Ag2GeSe3; Ag-Ge-Se

OSTI Identifier:: 1681234

DOI:: https://doi.org/10.17188/1681234

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                    The Materials Project. Materials Data on Ag2GeSe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681234.

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                    The Materials Project. Materials Data on Ag2GeSe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681234

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                    The Materials Project. 2020.  
"Materials Data on Ag2GeSe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681234.  https://www.osti.gov/servlets/purl/1681234. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1681234,

  title        = {Materials Data on Ag2GeSe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.65–2.71 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten equivalent AgSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.37–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SeAg3Ge tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SeAg2Ge2 tetrahedra.},

  doi          = {10.17188/1681234},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681234

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