Materials Data on Te3Au by Materials Project

doi:10.17188/1667128

Title: Materials Data on Te3Au by Materials Project

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Abstract

AuTe3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au5+ is bonded in a linear geometry to two equivalent Te+1.67- atoms. Both Au–Te bond lengths are 2.64 Å. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a distorted single-bond geometry to one Au5+ and one Te+1.67- atom. The Te–Te bond length is 3.70 Å. In the second Te+1.67- site, Te+1.67- is bonded to six Te+1.67- atoms to form a mixture of edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Te–Te bond lengths are 3.13 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1217358

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; Te3Au; Au-Te

OSTI Identifier:: 1667128

DOI:: https://doi.org/10.17188/1667128

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                    The Materials Project. Materials Data on Te3Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1667128.

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                    The Materials Project. Materials Data on Te3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1667128

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                    The Materials Project. 2020.  
"Materials Data on Te3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1667128.  https://www.osti.gov/servlets/purl/1667128. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1667128,

  title        = {Materials Data on Te3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuTe3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au5+ is bonded in a linear geometry to two equivalent Te+1.67- atoms. Both Au–Te bond lengths are 2.64 Å. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a distorted single-bond geometry to one Au5+ and one Te+1.67- atom. The Te–Te bond length is 3.70 Å. In the second Te+1.67- site, Te+1.67- is bonded to six Te+1.67- atoms to form a mixture of edge and corner-sharing TeTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Te–Te bond lengths are 3.13 Å.},

  doi          = {10.17188/1667128},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1667128

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