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.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-754645

DOE Contract Number:: AC02-05CH11231; EDCBEE

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

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

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; MgCl2O; Cl-Mg-O

OSTI Identifier:: 1289502

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

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

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

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                    The Materials Project. 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 00:00:00 EDT 2020

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@article{osti_1289502,

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

  author       = {The 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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