Materials Data on In2TeO6 by Materials Project

doi:10.17188/1262125

Title: Materials Data on In2TeO6 by Materials Project

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Abstract

In2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent InO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of In–O bond distances ranging from 2.17–2.25 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent InO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of In–O bond distances ranging from 2.14–2.24 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent InO6 octahedra and edges with three equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded to six O2- atomsmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-504908

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; In2TeO6; In-O-Te

OSTI Identifier:: 1262125

DOI:: https://doi.org/10.17188/1262125

Citation Formats


                    The Materials Project. Materials Data on In2TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262125.

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                    The Materials Project. Materials Data on In2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262125

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                    The Materials Project. 2020.  
"Materials Data on In2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262125.  https://www.osti.gov/servlets/purl/1262125. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1262125,

  title        = {Materials Data on In2TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with four equivalent TeO6 octahedra, corners with six equivalent InO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There are a spread of In–O bond distances ranging from 2.17–2.25 Å. In the second In3+ site, In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with six equivalent InO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of In–O bond distances ranging from 2.14–2.24 Å. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent InO6 octahedra and edges with three equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Te–O bond lengths are 1.95 Å. In the second Te6+ site, Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent InO6 octahedra and edges with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. All Te–O bond lengths are 1.96 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two In3+ and one Te6+ atom.},

  doi          = {10.17188/1262125},

  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/10.17188/1262125

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