Materials Data on Te4Mo3S2 by Materials Project

doi:10.17188/1356054

Title: Materials Data on Te4Mo3S2 by Materials Project

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Abstract

(MoTe2)2MoS2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and two MoTe2 sheets oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Mo4+ atoms. In each 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 3-coordinate geometry to three equivalent Mo4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1025769

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; Te4Mo3S2; Mo-S-Te

OSTI Identifier:: 1356054

DOI:: https://doi.org/10.17188/1356054

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                    The Materials Project. Materials Data on Te4Mo3S2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1356054.

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                    The Materials Project. Materials Data on Te4Mo3S2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1356054

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                    The Materials Project. 2020.  
"Materials Data on Te4Mo3S2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1356054.  https://www.osti.gov/servlets/purl/1356054. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1356054,

  title        = {Materials Data on Te4Mo3S2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(MoTe2)2MoS2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction and two MoTe2 sheets oriented in the (0, 0, 1) direction. In the MoS2 sheet, Mo4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Mo4+ atoms. In each 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 3-coordinate geometry to three equivalent Mo4+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ atoms.},

  doi          = {10.17188/1356054},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1356054

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