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Title: Materials Data on MgHOF by Materials Project

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:
Publication Date:
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

Citation Formats

The Materials Project. Materials Data on MgHOF by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688120.
The Materials Project. Materials Data on MgHOF by Materials Project. United States. doi:https://doi.org/10.17188/1688120
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
@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 = {2019},
month = {1}
}