skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on HgHOF by Materials Project

Abstract

HgHOF crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Hg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing HgO3F3 octahedra. The corner-sharing octahedra tilt angles range from 61–63°. There are two shorter (2.14 Å) and one longer (2.91 Å) Hg–O bond lengths. There are a spread of Hg–F bond distances ranging from 2.55–2.57 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.48 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-23844
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HgHOF; F-H-Hg-O
OSTI Identifier:
1199758
DOI:
https://doi.org/10.17188/1199758

Citation Formats

The Materials Project. Materials Data on HgHOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199758.
The Materials Project. Materials Data on HgHOF by Materials Project. United States. doi:https://doi.org/10.17188/1199758
The Materials Project. 2020. "Materials Data on HgHOF by Materials Project". United States. doi:https://doi.org/10.17188/1199758. https://www.osti.gov/servlets/purl/1199758. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199758,
title = {Materials Data on HgHOF by Materials Project},
author = {The Materials Project},
abstractNote = {HgHOF crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Hg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing HgO3F3 octahedra. The corner-sharing octahedra tilt angles range from 61–63°. There are two shorter (2.14 Å) and one longer (2.91 Å) Hg–O bond lengths. There are a spread of Hg–F bond distances ranging from 2.55–2.57 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.48 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom.},
doi = {10.17188/1199758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}