Materials Data on Tl2MoCl6 by Materials Project

doi:10.17188/1204018

Title: Materials Data on Tl2MoCl6 by Materials Project

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Abstract

MoTl2Cl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent Cl1- atoms to form MoCl6 octahedra that share faces with eight equivalent TlCl12 cuboctahedra. All Mo–Cl bond lengths are 2.39 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with four equivalent MoCl6 octahedra. All Tl–Cl bond lengths are 3.56 Å. Cl1- is bonded in a distorted single-bond geometry to one Mo4+ and four equivalent Tl1+ atoms.

Publication Date:: 2017-05-10

Other Number(s):: mp-29562

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; Cl-Mo-Tl; Tl2MoCl6; crystal structure

OSTI Identifier:: 1204018

DOI:: https://doi.org/10.17188/1204018

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                    Materials Data on Tl2MoCl6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1204018.

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                    Materials Data on Tl2MoCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204018

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                    2017.  
"Materials Data on Tl2MoCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204018.  https://www.osti.gov/servlets/purl/1204018. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1204018,

  title        = {Materials Data on Tl2MoCl6 by Materials Project},

  
  abstractNote = {MoTl2Cl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent Cl1- atoms to form MoCl6 octahedra that share faces with eight equivalent TlCl12 cuboctahedra. All Mo–Cl bond lengths are 2.39 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with four equivalent MoCl6 octahedra. All Tl–Cl bond lengths are 3.56 Å. Cl1- is bonded in a distorted single-bond geometry to one Mo4+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1204018},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1204018

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