Materials Data on Te2Mo3Se4 by Materials Project

doi:10.17188/1355995

Title: Materials Data on Te2Mo3Se4 by Materials Project

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Abstract

MoTe2(MoSe2)2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoSe2 sheets oriented in the (0, 0, 1) direction and one MoTe2 sheet oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoTe2 sheet, Mo4+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. There are three shorter (2.71 Å) and three longer (2.72 Å) Mo–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1025876

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; Te2Mo3Se4; Mo-Se-Te

OSTI Identifier:: 1355995

DOI:: https://doi.org/10.17188/1355995

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                    The Materials Project. Materials Data on Te2Mo3Se4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355995.

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                    The Materials Project. Materials Data on Te2Mo3Se4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355995

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                    The Materials Project. 2020.  
"Materials Data on Te2Mo3Se4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355995.  https://www.osti.gov/servlets/purl/1355995. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1355995,

  title        = {Materials Data on Te2Mo3Se4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MoTe2(MoSe2)2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoSe2 sheets oriented in the (0, 0, 1) direction and one MoTe2 sheet oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the MoTe2 sheet, Mo4+ is bonded to six Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. There are three shorter (2.71 Å) and three longer (2.72 Å) Mo–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms.},

  doi          = {10.17188/1355995},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1355995

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