Materials Data on GeSe2 by Materials Project

doi:10.17188/1694641

Title: Materials Data on GeSe2 by Materials Project

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Abstract

GeSe2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. All Ge–Se bond lengths are 2.41 Å. In the second Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.39–2.41 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two Ge4+ atoms. In the third Se2- site, Se2- is bonded in a water-like geometry to two Ge4+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1190257

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; GeSe2; Ge-Se

OSTI Identifier:: 1694641

DOI:: https://doi.org/10.17188/1694641

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                    The Materials Project. Materials Data on GeSe2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1694641.

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                    The Materials Project. Materials Data on GeSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1694641

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                    The Materials Project. 2019.  
"Materials Data on GeSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1694641.  https://www.osti.gov/servlets/purl/1694641. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1694641,

  title        = {Materials Data on GeSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {GeSe2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. All Ge–Se bond lengths are 2.41 Å. In the second Ge4+ site, Ge4+ is bonded to four Se2- atoms to form corner-sharing GeSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.39–2.41 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second Se2- site, Se2- is bonded in a water-like geometry to two Ge4+ atoms. In the third Se2- site, Se2- is bonded in a water-like geometry to two Ge4+ atoms.},

  doi          = {10.17188/1694641},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1694641

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