Materials Data on In4As3Se by Materials Project

doi:10.17188/1284248

Title: Materials Data on In4As3Se by Materials Project

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Abstract

In4As3Se is Chalcopyrite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. In+2.75+ is bonded to three As3- and one Se2- atom to form corner-sharing InAs3Se tetrahedra. All In–As bond lengths are 2.71 Å. The In–Se bond length is 2.79 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight AsIn4 tetrahedra. Se2- is bonded to four equivalent In+2.75+ atoms to form SeIn4 tetrahedra that share corners with twelve AsIn4 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-685956

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; In4As3Se; As-In-Se

OSTI Identifier:: 1284248

DOI:: https://doi.org/10.17188/1284248

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                    The Materials Project. Materials Data on In4As3Se by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284248.

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                    The Materials Project. Materials Data on In4As3Se by Materials Project.  United States.  doi:https://doi.org/10.17188/1284248

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                    The Materials Project. 2020.  
"Materials Data on In4As3Se by Materials Project".  United States.  doi:https://doi.org/10.17188/1284248.  https://www.osti.gov/servlets/purl/1284248. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1284248,

  title        = {Materials Data on In4As3Se by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In4As3Se is Chalcopyrite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. In+2.75+ is bonded to three As3- and one Se2- atom to form corner-sharing InAs3Se tetrahedra. All In–As bond lengths are 2.71 Å. The In–Se bond length is 2.79 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight AsIn4 tetrahedra. Se2- is bonded to four equivalent In+2.75+ atoms to form SeIn4 tetrahedra that share corners with twelve AsIn4 tetrahedra.},

  doi          = {10.17188/1284248},

  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/10.17188/1284248

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