Materials Data on Tl(MoSe)3 by Materials Project

doi:10.17188/1206717

Title: Materials Data on Tl(MoSe)3 by Materials Project

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Abstract

(MoSe)3Tl crystallizes in the hexagonal P6_3/m space group. The structure is one-dimensional and consists of two ramor molecules and one MoSe ribbon oriented in the (0, 0, 1) direction. In the MoSe ribbon, Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.74 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.72 Å. Se is bonded in a 4-coordinate geometry to four equivalent Mo atoms.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-3411

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Mo-Se-Tl; Tl(MoSe)3; crystal structure

OSTI Identifier:: 1206717

DOI:: https://doi.org/10.17188/1206717

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                    Materials Data on Tl(MoSe)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206717.

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                    Materials Data on Tl(MoSe)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206717

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                    2020.  
"Materials Data on Tl(MoSe)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206717.  https://www.osti.gov/servlets/purl/1206717. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1206717,

  title        = {Materials Data on Tl(MoSe)3 by Materials Project},

  
  abstractNote = {(MoSe)3Tl crystallizes in the hexagonal P6_3/m space group. The structure is one-dimensional and consists of two ramor molecules and one MoSe ribbon oriented in the (0, 0, 1) direction. In the MoSe ribbon, Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.74 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.72 Å. Se is bonded in a 4-coordinate geometry to four equivalent Mo atoms.},

  doi          = {10.17188/1206717},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1206717

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Materials Data on Tl(MoSe)3 by Materials Project

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Tl(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Mo is bonded in a distorted see-saw-like geometry to six equivalent Mo and four equivalent Se atoms. There are two shorter (2.67 Å) and four longer (2.73 Å) Mo–Mo bond lengths. There are a spread of Mo–Se bond distances ranging from 2.63–2.71 Å. Tl is bonded in a trigonal planar geometry to three equivalent Se atoms. All Tl–Se bond lengths are 3.15 Å. Se is bonded in a 5-coordinate geometry to four equivalent Mo and one Tl atom.
Materials Data on In(MoSe)3 by Materials Project

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Materials Data on In(MoSe)3 by Materials Project

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Na(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Na is bonded in a 9-coordinate geometry to nine equivalent Se atoms. There are three shorter (3.26 Å) and six longer (3.44 Å) Na–Se bond lengths. Mo is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are a spread of Mo–Se bond distances ranging from 2.64–2.72 Å. Se is bonded in a 7-coordinate geometry to three equivalent Na and four equivalent Mo atoms.
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