Materials Data on InFeAs by Materials Project

doi:10.17188/1279168

Title: Materials Data on InFeAs by Materials Project

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Abstract

FeInAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent As3- atoms to form distorted FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra, corners with twelve equivalent InAs4 tetrahedra, edges with twelve equivalent FeAs6 octahedra, and faces with four equivalent InAs4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–As bond lengths are 3.14 Å. In1+ is bonded to four equivalent As3- atoms to form InAs4 tetrahedra that share corners with twelve equivalent FeAs6 octahedra, corners with twelve equivalent InAs4 tetrahedra, and faces with four equivalent FeAs6 octahedra. The corner-sharing octahedral tilt angles are 55°. All In–As bond lengths are 2.72 Å. As3- is bonded to six equivalent Fe2+ and four equivalent In1+ atoms to form a mixture of distorted corner and face-sharing AsIn4Fe6 tetrahedra.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-631472

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; InFeAs; As-Fe-In

OSTI Identifier:: 1279168

DOI:: https://doi.org/10.17188/1279168

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                    The Materials Project. Materials Data on InFeAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279168.

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                    The Materials Project. Materials Data on InFeAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1279168

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                    The Materials Project. 2020.  
"Materials Data on InFeAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1279168.  https://www.osti.gov/servlets/purl/1279168. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1279168,

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

  author       = {The Materials Project},

  abstractNote = {FeInAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent As3- atoms to form distorted FeAs6 octahedra that share corners with six equivalent FeAs6 octahedra, corners with twelve equivalent InAs4 tetrahedra, edges with twelve equivalent FeAs6 octahedra, and faces with four equivalent InAs4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–As bond lengths are 3.14 Å. In1+ is bonded to four equivalent As3- atoms to form InAs4 tetrahedra that share corners with twelve equivalent FeAs6 octahedra, corners with twelve equivalent InAs4 tetrahedra, and faces with four equivalent FeAs6 octahedra. The corner-sharing octahedral tilt angles are 55°. All In–As bond lengths are 2.72 Å. As3- is bonded to six equivalent Fe2+ and four equivalent In1+ atoms to form a mixture of distorted corner and face-sharing AsIn4Fe6 tetrahedra.},

  doi          = {10.17188/1279168},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279168

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