Materials Data on In2Sb by Materials Project

doi:10.17188/1684077

Title: Materials Data on In2Sb by Materials Project

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Abstract

In2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded to five equivalent Sb3- atoms to form InSb5 trigonal bipyramids that share corners with twelve equivalent InSb6 octahedra, corners with eight equivalent InSb5 trigonal bipyramids, edges with six equivalent InSb5 trigonal bipyramids, and faces with six equivalent InSb6 octahedra. The corner-sharing octahedra tilt angles range from 28–62°. There are three shorter (3.11 Å) and two longer (3.36 Å) In–Sb bond lengths. In the second In+1.50+ site, In+1.50+ is bonded to six equivalent Sb3- atoms to form distorted InSb6 octahedra that share corners with twelve equivalent InSb6 octahedra, corners with twelve equivalent InSb5 trigonal bipyramids, edges with six equivalent InSb6 octahedra, faces with two equivalent InSb6 octahedra, and faces with six equivalent InSb5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. All In–Sb bond lengths are 3.53 Å. Sb3- is bonded to eleven In+1.50+ atoms to form a mixture of distorted corner and face-sharing SbIn11 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1207221

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; In2Sb; In-Sb

OSTI Identifier:: 1684077

DOI:: https://doi.org/10.17188/1684077

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                    The Materials Project. Materials Data on In2Sb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684077.

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                    The Materials Project. Materials Data on In2Sb by Materials Project.  United States.  doi:https://doi.org/10.17188/1684077

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                    The Materials Project. 2020.  
"Materials Data on In2Sb by Materials Project".  United States.  doi:https://doi.org/10.17188/1684077.  https://www.osti.gov/servlets/purl/1684077. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1684077,

  title        = {Materials Data on In2Sb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent In+1.50+ sites. In the first In+1.50+ site, In+1.50+ is bonded to five equivalent Sb3- atoms to form InSb5 trigonal bipyramids that share corners with twelve equivalent InSb6 octahedra, corners with eight equivalent InSb5 trigonal bipyramids, edges with six equivalent InSb5 trigonal bipyramids, and faces with six equivalent InSb6 octahedra. The corner-sharing octahedra tilt angles range from 28–62°. There are three shorter (3.11 Å) and two longer (3.36 Å) In–Sb bond lengths. In the second In+1.50+ site, In+1.50+ is bonded to six equivalent Sb3- atoms to form distorted InSb6 octahedra that share corners with twelve equivalent InSb6 octahedra, corners with twelve equivalent InSb5 trigonal bipyramids, edges with six equivalent InSb6 octahedra, faces with two equivalent InSb6 octahedra, and faces with six equivalent InSb5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. All In–Sb bond lengths are 3.53 Å. Sb3- is bonded to eleven In+1.50+ atoms to form a mixture of distorted corner and face-sharing SbIn11 trigonal bipyramids.},

  doi          = {10.17188/1684077},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1684077

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