Materials Data on MoCl4 by Materials Project

doi:10.17188/1678034

Title: Materials Data on MoCl4 by Materials Project

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Abstract

MoCl4 crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one hexachloromolybdenum molecule and one MoCl3 sheet oriented in the (0, 0, 1) direction. In the MoCl3 sheet, Mo4+ is bonded to six equivalent Cl1- atoms to form edge-sharing MoCl6 octahedra. All Mo–Cl bond lengths are 2.45 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Mo4+ atoms.

Publication Date:: 2020-04-29

Other Number(s):: mp-1221517

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; MoCl4; crystal structure

OSTI Identifier:: 1678034

DOI:: https://doi.org/10.17188/1678034

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                    Materials Data on MoCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678034.

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                    Materials Data on MoCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678034

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                    2020.  
"Materials Data on MoCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678034.  https://www.osti.gov/servlets/purl/1678034. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1678034,

  title        = {Materials Data on MoCl4 by Materials Project},

  
  abstractNote = {MoCl4 crystallizes in the trigonal P-31m space group. The structure is two-dimensional and consists of one hexachloromolybdenum molecule and one MoCl3 sheet oriented in the (0, 0, 1) direction. In the MoCl3 sheet, Mo4+ is bonded to six equivalent Cl1- atoms to form edge-sharing MoCl6 octahedra. All Mo–Cl bond lengths are 2.45 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Mo4+ atoms.},

  doi          = {10.17188/1678034},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1678034

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