Materials Data on In6TeO12 by Materials Project

doi:10.17188/1197414

Title: Materials Data on In6TeO12 by Materials Project

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Abstract

In6TeO12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.11–2.72 Å. Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent In3+ and one Te6+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-22189

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; In6TeO12; In-O-Te

OSTI Identifier:: 1197414

DOI:: https://doi.org/10.17188/1197414

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                    The Materials Project. Materials Data on In6TeO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197414.

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                    The Materials Project. Materials Data on In6TeO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197414

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                    The Materials Project. 2020.  
"Materials Data on In6TeO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197414.  https://www.osti.gov/servlets/purl/1197414. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197414,

  title        = {Materials Data on In6TeO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In6TeO12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. In3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of In–O bond distances ranging from 2.11–2.72 Å. Te6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent In3+ and one Te6+ atom.},

  doi          = {10.17188/1197414},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197414

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