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Title: Materials Data on HgAsF7 by Materials Project

Abstract

HgFAsF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to eight F1- atoms. There are a spread of Hg–F bond distances ranging from 2.13–2.93 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Hg2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+more » atom.« less

Publication Date:
Other Number(s):
mp-1195247
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; HgAsF7; As-F-Hg
OSTI Identifier:
1686633
DOI:
https://doi.org/10.17188/1686633

Citation Formats

The Materials Project. Materials Data on HgAsF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686633.
The Materials Project. Materials Data on HgAsF7 by Materials Project. United States. doi:https://doi.org/10.17188/1686633
The Materials Project. 2020. "Materials Data on HgAsF7 by Materials Project". United States. doi:https://doi.org/10.17188/1686633. https://www.osti.gov/servlets/purl/1686633. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686633,
title = {Materials Data on HgAsF7 by Materials Project},
author = {The Materials Project},
abstractNote = {HgFAsF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to eight F1- atoms. There are a spread of Hg–F bond distances ranging from 2.13–2.93 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Hg2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom.},
doi = {10.17188/1686633},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}