Materials Data on MgHOF by Materials Project

doi:10.17188/1688120

Title: Materials Data on MgHOF by Materials Project

Dataset
Other Related Research

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.

Publication Date:: 2019-01-11

Other Number(s):: mp-1189172

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; F-H-Mg-O; MgHOF; crystal structure

OSTI Identifier:: 1688120

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

Citation Formats


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

Copy to clipboard


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

Copy to clipboard


                    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 04:00:00 UTC 2019

Copy to clipboard


                    
@article{osti_1688120,

  title        = {Materials Data on MgHOF by 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         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

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

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.
Materials Data on As by Materials Project

Dataset

As is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As sheets oriented in the (0, 0, 1) direction. As is bonded in a 3-coordinate geometry to three equivalent As atoms. All As–As bond lengths are 2.56 Å.
Materials Data on Be by Materials Project

Dataset

Be is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Be atoms. All Be–Be bond lengths are 2.17 Å.
Materials Data on NO by Materials Project

Dataset

NO is alpha carbon monoxide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules. N is bonded in a single-bond geometry to one O atom. The N–O bond length is 1.17 Å. O is bonded in a single-bond geometry to one N atom.

Similar Records