Materials Data on In2SbAs by Materials Project

doi:10.17188/1757751

Title: Materials Data on In2SbAs by Materials Project

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Abstract

In2SbAs is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three equivalent Sb3- and one As3- atom to form corner-sharing InSb3As tetrahedra. All In–Sb bond lengths are 2.82 Å. The In–As bond length is 2.67 Å. In the second In3+ site, In3+ is bonded to one Sb3- and three equivalent As3- atoms to form corner-sharing InSbAs3 tetrahedra. The In–Sb bond length is 2.88 Å. All In–As bond lengths are 2.74 Å. Sb3- is bonded to four In3+ atoms to form SbIn4 tetrahedra that share corners with six equivalent SbIn4 tetrahedra and corners with six equivalent AsIn4 tetrahedra. As3- is bonded to four In3+ atoms to form AsIn4 tetrahedra that share corners with six equivalent SbIn4 tetrahedra and corners with six equivalent AsIn4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1223844

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; In2SbAs; As-In-Sb

OSTI Identifier:: 1757751

DOI:: https://doi.org/10.17188/1757751

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                    The Materials Project. Materials Data on In2SbAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757751.

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                    The Materials Project. Materials Data on In2SbAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1757751

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                    The Materials Project. 2020.  
"Materials Data on In2SbAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1757751.  https://www.osti.gov/servlets/purl/1757751. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757751,

  title        = {Materials Data on In2SbAs by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In2SbAs is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to three equivalent Sb3- and one As3- atom to form corner-sharing InSb3As tetrahedra. All In–Sb bond lengths are 2.82 Å. The In–As bond length is 2.67 Å. In the second In3+ site, In3+ is bonded to one Sb3- and three equivalent As3- atoms to form corner-sharing InSbAs3 tetrahedra. The In–Sb bond length is 2.88 Å. All In–As bond lengths are 2.74 Å. Sb3- is bonded to four In3+ atoms to form SbIn4 tetrahedra that share corners with six equivalent SbIn4 tetrahedra and corners with six equivalent AsIn4 tetrahedra. As3- is bonded to four In3+ atoms to form AsIn4 tetrahedra that share corners with six equivalent SbIn4 tetrahedra and corners with six equivalent AsIn4 tetrahedra.},

  doi          = {10.17188/1757751},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1757751

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