Materials Data on MoCl3 by Materials Project

doi:10.17188/1717277

Title: Materials Data on MoCl3 by Materials Project

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Abstract

MoCl3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MoCl3 sheets oriented in the (0, 0, 1) direction. Mo3+ is bonded to six Cl1- atoms to form distorted edge-sharing MoCl6 octahedra. There are a spread of Mo–Cl bond distances ranging from 2.38–2.58 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mo3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Mo3+ atoms.

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1221495

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; MoCl3; crystal structure

OSTI Identifier:: 1717277

DOI:: https://doi.org/10.17188/1717277

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                    Materials Data on MoCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717277.

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                    Materials Data on MoCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717277

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                    2020.  
"Materials Data on MoCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717277.  https://www.osti.gov/servlets/purl/1717277. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1717277,

  title        = {Materials Data on MoCl3 by Materials Project},

  
  abstractNote = {MoCl3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MoCl3 sheets oriented in the (0, 0, 1) direction. Mo3+ is bonded to six Cl1- atoms to form distorted edge-sharing MoCl6 octahedra. There are a spread of Mo–Cl bond distances ranging from 2.38–2.58 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Mo3+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Mo3+ atoms.},

  doi          = {10.17188/1717277},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1717277

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