Materials Data on MgCl2O by Materials Project

doi:10.17188/1289502

Title: Materials Data on MgCl2O by Materials Project

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Abstract

MgOCl2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one MgOCl2 sheet oriented in the (0, 0, 1) direction. Mg is bonded to two equivalent O and two equivalent Cl atoms to form corner-sharing MgCl2O2 tetrahedra. Both Mg–O bond lengths are 2.00 Å. There are one shorter (2.37 Å) and one longer (2.38 Å) Mg–Cl bond lengths. O is bonded in a 3-coordinate geometry to two equivalent Mg and one Cl atom. The O–Cl bond length is 1.71 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent Mg atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-754645

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-Mg-O; MgCl2O; crystal structure

OSTI Identifier:: 1289502

DOI:: https://doi.org/10.17188/1289502

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                    Materials Data on MgCl2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289502.

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                    Materials Data on MgCl2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1289502

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                    2020.  
"Materials Data on MgCl2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1289502.  https://www.osti.gov/servlets/purl/1289502. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1289502,

  title        = {Materials Data on MgCl2O by Materials Project},

  
  abstractNote = {MgOCl2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one MgOCl2 sheet oriented in the (0, 0, 1) direction. Mg is bonded to two equivalent O and two equivalent Cl atoms to form corner-sharing MgCl2O2 tetrahedra. Both Mg–O bond lengths are 2.00 Å. There are one shorter (2.37 Å) and one longer (2.38 Å) Mg–Cl bond lengths. O is bonded in a 3-coordinate geometry to two equivalent Mg and one Cl atom. The O–Cl bond length is 1.71 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent Mg atoms.},

  doi          = {10.17188/1289502},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289502

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