Materials Data on Te3As2 by Materials Project

doi:10.17188/1316944

Title: Materials Data on Te3As2 by Materials Project

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Abstract

As2Te3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As2Te3 sheets oriented in the (0, 0, 1) direction. As3- is bonded to six Te2+ atoms to form a mixture of edge and corner-sharing AsTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.86 Å) and three longer (3.00 Å) As–Te bond lengths. There are two inequivalent Te2+ sites. In the first Te2+ site, Te2+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. In the second Te2+ site, Te2+ is bonded to six equivalent As3- atoms to form edge-sharing TeAs6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-9897

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; Te3As2; As-Te

OSTI Identifier:: 1316944

DOI:: https://doi.org/10.17188/1316944

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                    The Materials Project. Materials Data on Te3As2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316944.

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                    The Materials Project. Materials Data on Te3As2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316944

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                    The Materials Project. 2020.  
"Materials Data on Te3As2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316944.  https://www.osti.gov/servlets/purl/1316944. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1316944,

  title        = {Materials Data on Te3As2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {As2Te3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As2Te3 sheets oriented in the (0, 0, 1) direction. As3- is bonded to six Te2+ atoms to form a mixture of edge and corner-sharing AsTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.86 Å) and three longer (3.00 Å) As–Te bond lengths. There are two inequivalent Te2+ sites. In the first Te2+ site, Te2+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. In the second Te2+ site, Te2+ is bonded to six equivalent As3- atoms to form edge-sharing TeAs6 octahedra.},

  doi          = {10.17188/1316944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316944

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