Materials Data on TaCoTe2 by Materials Project

doi:10.17188/1202930

Title: Materials Data on TaCoTe2 by Materials Project

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Abstract

TaCoTe2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TaCoTe2 sheet oriented in the (0, 0, 1) direction. Ta3+ is bonded to five Te2- atoms to form a mixture of distorted edge and corner-sharing TaTe5 trigonal bipyramids. There are a spread of Ta–Te bond distances ranging from 2.82–2.95 Å. Co1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.55–2.67 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ta3+ and two equivalent Co1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Co1+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-28846

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; TaCoTe2; Co-Ta-Te

OSTI Identifier:: 1202930

DOI:: https://doi.org/10.17188/1202930

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                    The Materials Project. Materials Data on TaCoTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202930.

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                    The Materials Project. Materials Data on TaCoTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202930

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                    The Materials Project. 2020.  
"Materials Data on TaCoTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202930.  https://www.osti.gov/servlets/purl/1202930. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1202930,

  title        = {Materials Data on TaCoTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaCoTe2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TaCoTe2 sheet oriented in the (0, 0, 1) direction. Ta3+ is bonded to five Te2- atoms to form a mixture of distorted edge and corner-sharing TaTe5 trigonal bipyramids. There are a spread of Ta–Te bond distances ranging from 2.82–2.95 Å. Co1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.55–2.67 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ta3+ and two equivalent Co1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Co1+ atoms.},

  doi          = {10.17188/1202930},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202930

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