Materials Data on MgHOF by Materials Project

doi:10.17188/1688120

Title: Materials Data on MgHOF by Materials Project

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Abstract

MgF(OH) crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing MgO3F3 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.06 Å) and one longer (2.08 Å) Mg–O bond lengths. There are one shorter (2.05 Å) and two longer (2.08 Å) Mg–F bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Mg2+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1189172

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; MgHOF; F-H-Mg-O

OSTI Identifier:: 1688120

DOI:: https://doi.org/10.17188/1688120

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                    The Materials Project. Materials Data on MgHOF by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1688120.

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                    The Materials Project. Materials Data on MgHOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1688120

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                    The Materials Project. 2019.  
"Materials Data on MgHOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1688120.  https://www.osti.gov/servlets/purl/1688120. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1688120,

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

  author       = {The Materials Project},

  abstractNote = {MgF(OH) crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing MgO3F3 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.06 Å) and one longer (2.08 Å) Mg–O bond lengths. There are one shorter (2.05 Å) and two longer (2.08 Å) Mg–F bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Mg2+ and one H1+ atom. F1- is bonded in a distorted trigonal planar geometry to three equivalent Mg2+ atoms.},

  doi          = {10.17188/1688120},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1688120

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