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Title: Materials Data on Zn2Hg2OF6 by Materials Project

Abstract

Hg2Zn2OF6 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent O2- and six equivalent F1- atoms to form HgO2F6 hexagonal bipyramids that share edges with six equivalent HgO2F6 hexagonal bipyramids and edges with six equivalent ZnF6 octahedra. Both Hg–O bond lengths are 2.30 Å. All Hg–F bond lengths are 2.64 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent ZnF6 octahedra and edges with six equivalent HgO2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Zn–F bond lengths are 2.04 Å. O2- is bonded to four equivalent Hg2+ atoms to form corner-sharing OHg4 tetrahedra. F1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and two equivalent Zn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-17972
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; Zn2Hg2OF6; F-Hg-O-Zn
OSTI Identifier:
1192806
DOI:
https://doi.org/10.17188/1192806

Citation Formats

The Materials Project. Materials Data on Zn2Hg2OF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192806.
The Materials Project. Materials Data on Zn2Hg2OF6 by Materials Project. United States. doi:https://doi.org/10.17188/1192806
The Materials Project. 2020. "Materials Data on Zn2Hg2OF6 by Materials Project". United States. doi:https://doi.org/10.17188/1192806. https://www.osti.gov/servlets/purl/1192806. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192806,
title = {Materials Data on Zn2Hg2OF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2Zn2OF6 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent O2- and six equivalent F1- atoms to form HgO2F6 hexagonal bipyramids that share edges with six equivalent HgO2F6 hexagonal bipyramids and edges with six equivalent ZnF6 octahedra. Both Hg–O bond lengths are 2.30 Å. All Hg–F bond lengths are 2.64 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent ZnF6 octahedra and edges with six equivalent HgO2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. All Zn–F bond lengths are 2.04 Å. O2- is bonded to four equivalent Hg2+ atoms to form corner-sharing OHg4 tetrahedra. F1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1192806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}