Materials Data on In2Te3 by Materials Project

doi:10.17188/1731982

Title: Materials Data on In2Te3 by Materials Project

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Abstract

In2Te3 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one In2Te3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Te2- atoms to form corner-sharing InTe4 tetrahedra. There are three shorter (2.92 Å) and one longer (2.98 Å) In–Te bond lengths. In the second In3+ site, In3+ is bonded to four Te2- atoms to form corner-sharing InTe4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.99 Å) In–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four In3+ atoms to form corner-sharing TeIn4 tetrahedra. In the second Te2- site, Te2- is bonded in a single-bond geometry to one In3+ atom. In the third Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1224450

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; In2Te3; In-Te

OSTI Identifier:: 1731982

DOI:: https://doi.org/10.17188/1731982

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                    The Materials Project. Materials Data on In2Te3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731982.

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                    The Materials Project. Materials Data on In2Te3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731982

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                    The Materials Project. 2020.  
"Materials Data on In2Te3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731982.  https://www.osti.gov/servlets/purl/1731982. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1731982,

  title        = {Materials Data on In2Te3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In2Te3 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one In2Te3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Te2- atoms to form corner-sharing InTe4 tetrahedra. There are three shorter (2.92 Å) and one longer (2.98 Å) In–Te bond lengths. In the second In3+ site, In3+ is bonded to four Te2- atoms to form corner-sharing InTe4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.99 Å) In–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four In3+ atoms to form corner-sharing TeIn4 tetrahedra. In the second Te2- site, Te2- is bonded in a single-bond geometry to one In3+ atom. In the third Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In3+ atoms.},

  doi          = {10.17188/1731982},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1731982

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