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Title: Materials Data on Hg4OF6 by Materials Project

Abstract

Hg4OF6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to one O2- and seven F1- atoms. The Hg–O bond length is 2.22 Å. There are a spread of Hg–F bond distances ranging from 2.32–2.90 Å. In the second Hg2+ site, Hg2+ is bonded in a 7-coordinate geometry to one O2- and six F1- atoms. The Hg–O bond length is 2.15 Å. There are three shorter (2.33 Å) and three longer (2.87 Å) Hg–F bond lengths. O2- is bonded in a tetrahedral geometry to four Hg2+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to five Hg2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to four Hg2+ atoms.

Publication Date:
Other Number(s):
mp-31132
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; Hg4OF6; F-Hg-O
OSTI Identifier:
1205448
DOI:
10.17188/1205448

Citation Formats

The Materials Project. Materials Data on Hg4OF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205448.
The Materials Project. Materials Data on Hg4OF6 by Materials Project. United States. doi:10.17188/1205448.
The Materials Project. 2020. "Materials Data on Hg4OF6 by Materials Project". United States. doi:10.17188/1205448. https://www.osti.gov/servlets/purl/1205448. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1205448,
title = {Materials Data on Hg4OF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg4OF6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to one O2- and seven F1- atoms. The Hg–O bond length is 2.22 Å. There are a spread of Hg–F bond distances ranging from 2.32–2.90 Å. In the second Hg2+ site, Hg2+ is bonded in a 7-coordinate geometry to one O2- and six F1- atoms. The Hg–O bond length is 2.15 Å. There are three shorter (2.33 Å) and three longer (2.87 Å) Hg–F bond lengths. O2- is bonded in a tetrahedral geometry to four Hg2+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to five Hg2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to four Hg2+ atoms.},
doi = {10.17188/1205448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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