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Title: Materials Data on Hg3As2F12 by Materials Project

Abstract

Hg3(AsF6)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Hg3(AsF6)2 sheet oriented in the (1, 0, 2) direction. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to two F1- atoms. There are one shorter (2.40 Å) and one longer (2.85 Å) Hg–F bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent F1- atoms. Both Hg–F bond lengths are 2.94 Å. As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.82 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one As3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the fifth F1- site, F1- is bondedmore » in a single-bond geometry to one As3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom.« less

Publication Date:
Other Number(s):
mp-27292
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; Hg3As2F12; As-F-Hg
OSTI Identifier:
1201490
DOI:
https://doi.org/10.17188/1201490

Citation Formats

The Materials Project. Materials Data on Hg3As2F12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201490.
The Materials Project. Materials Data on Hg3As2F12 by Materials Project. United States. doi:https://doi.org/10.17188/1201490
The Materials Project. 2020. "Materials Data on Hg3As2F12 by Materials Project". United States. doi:https://doi.org/10.17188/1201490. https://www.osti.gov/servlets/purl/1201490. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1201490,
title = {Materials Data on Hg3As2F12 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg3(AsF6)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Hg3(AsF6)2 sheet oriented in the (1, 0, 2) direction. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to two F1- atoms. There are one shorter (2.40 Å) and one longer (2.85 Å) Hg–F bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent F1- atoms. Both Hg–F bond lengths are 2.94 Å. As3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.82 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one As3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As3+ atom.},
doi = {10.17188/1201490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}