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Title: Materials Data on Hg2AsF6 by Materials Project

Abstract

Hg2AsF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a square co-planar geometry to four F1- atoms. All Hg–F bond lengths are 2.81 Å. In the second Hg2+ site, Hg2+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (2.81 Å) and two longer (2.82 Å) Hg–F bond lengths. As2+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.76 Å) and four longer (1.78 Å) As–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one As2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Hg2+ and one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one As2+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ andmore » one As2+ atom. Both F–Hg bond lengths are 2.82 Å. The F–As bond length is 1.78 Å.« less

Publication Date:
Other Number(s):
mp-675640
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; Hg2AsF6; As-F-Hg
OSTI Identifier:
1282783
DOI:
https://doi.org/10.17188/1282783

Citation Formats

The Materials Project. Materials Data on Hg2AsF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282783.
The Materials Project. Materials Data on Hg2AsF6 by Materials Project. United States. doi:https://doi.org/10.17188/1282783
The Materials Project. 2020. "Materials Data on Hg2AsF6 by Materials Project". United States. doi:https://doi.org/10.17188/1282783. https://www.osti.gov/servlets/purl/1282783. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1282783,
title = {Materials Data on Hg2AsF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2AsF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a square co-planar geometry to four F1- atoms. All Hg–F bond lengths are 2.81 Å. In the second Hg2+ site, Hg2+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (2.81 Å) and two longer (2.82 Å) Hg–F bond lengths. As2+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.76 Å) and four longer (1.78 Å) As–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one As2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Hg2+ and one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one As2+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one As2+ atom. Both F–Hg bond lengths are 2.82 Å. The F–As bond length is 1.78 Å.},
doi = {10.17188/1282783},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}