Materials Data on In15SnO24 by Materials Project

doi:10.17188/1312322

Title: Materials Data on In15SnO24 by Materials Project

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Abstract

In15SnO24 is Spinel-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with six InO6 octahedra, an edgeedge with one SnO6 octahedra, and edges with five InO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of In–O bond distances ranging from 2.16–2.29 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with five InO6 octahedra, and edges with six InO6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of In–O bond distances ranging from 2.16–2.26 Å. In the third In3+ site, In3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of In–O bond distances ranging from 2.21–2.24 Å. Sn3+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent InO6 octahedra and edges with sixmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-867998

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; In15SnO24; In-O-Sn

OSTI Identifier:: 1312322

DOI:: https://doi.org/10.17188/1312322

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                    The Materials Project. Materials Data on In15SnO24 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312322.

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                    The Materials Project. Materials Data on In15SnO24 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312322

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                    The Materials Project. 2020.  
"Materials Data on In15SnO24 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312322.  https://www.osti.gov/servlets/purl/1312322. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1312322,

  title        = {Materials Data on In15SnO24 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In15SnO24 is Spinel-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share corners with six InO6 octahedra, an edgeedge with one SnO6 octahedra, and edges with five InO6 octahedra. The corner-sharing octahedra tilt angles range from 54–58°. There are a spread of In–O bond distances ranging from 2.16–2.29 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form distorted InO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with five InO6 octahedra, and edges with six InO6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of In–O bond distances ranging from 2.16–2.26 Å. In the third In3+ site, In3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of In–O bond distances ranging from 2.21–2.24 Å. Sn3+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent InO6 octahedra and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sn–O bond lengths are 2.13 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three In3+ and one Sn3+ atom to form a mixture of distorted corner and edge-sharing OIn3Sn trigonal pyramids. In the second O2- site, O2- is bonded to four In3+ atoms to form distorted OIn4 trigonal pyramids that share corners with twelve OIn3Sn trigonal pyramids and edges with four OIn4 trigonal pyramids. In the third O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted corner and edge-sharing OIn4 trigonal pyramids. In the fourth O2- site, O2- is bonded to four In3+ atoms to form a mixture of distorted corner and edge-sharing OIn4 trigonal pyramids.},

  doi          = {10.17188/1312322},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1312322

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