Materials Data on In5Sb3 by Materials Project

doi:10.17188/1743941

Title: Materials Data on In5Sb3 by Materials Project

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Abstract

In5Sb3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent In+1.80+ sites. In the first In+1.80+ site, In+1.80+ is bonded to six Sb3- atoms to form InSb6 octahedra that share corners with six equivalent InSb6 octahedra, corners with sixteen equivalent InSb5 trigonal bipyramids, and faces with eight equivalent InSb5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–44°. There are four shorter (3.12 Å) and two longer (3.41 Å) In–Sb bond lengths. In the second In+1.80+ site, In+1.80+ is bonded to five Sb3- atoms to form InSb5 trigonal bipyramids that share corners with four equivalent InSb6 octahedra, corners with twelve equivalent InSb5 trigonal bipyramids, edges with seven equivalent InSb5 trigonal bipyramids, faces with two equivalent InSb6 octahedra, and a faceface with one InSb5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 46–68°. There are a spread of In–Sb bond distances ranging from 3.17–3.35 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to ten In+1.80+ atoms. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight In+1.80+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1188565

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; In5Sb3; In-Sb

OSTI Identifier:: 1743941

DOI:: https://doi.org/10.17188/1743941

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                    The Materials Project. Materials Data on In5Sb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743941.

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                    The Materials Project. Materials Data on In5Sb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743941

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                    The Materials Project. 2020.  
"Materials Data on In5Sb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743941.  https://www.osti.gov/servlets/purl/1743941. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1743941,

  title        = {Materials Data on In5Sb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In5Sb3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent In+1.80+ sites. In the first In+1.80+ site, In+1.80+ is bonded to six Sb3- atoms to form InSb6 octahedra that share corners with six equivalent InSb6 octahedra, corners with sixteen equivalent InSb5 trigonal bipyramids, and faces with eight equivalent InSb5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–44°. There are four shorter (3.12 Å) and two longer (3.41 Å) In–Sb bond lengths. In the second In+1.80+ site, In+1.80+ is bonded to five Sb3- atoms to form InSb5 trigonal bipyramids that share corners with four equivalent InSb6 octahedra, corners with twelve equivalent InSb5 trigonal bipyramids, edges with seven equivalent InSb5 trigonal bipyramids, faces with two equivalent InSb6 octahedra, and a faceface with one InSb5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 46–68°. There are a spread of In–Sb bond distances ranging from 3.17–3.35 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 10-coordinate geometry to ten In+1.80+ atoms. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight In+1.80+ atoms.},

  doi          = {10.17188/1743941},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743941

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