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Title: Materials Data on Hg5(ClO2)2 by Materials Project

Abstract

Hg5(O2Cl)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Hg–O bond lengths are 2.11 Å. There are a spread of Hg–Cl bond distances ranging from 2.98–3.23 Å. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.08 Å) and two longer (2.79 Å) Hg–O bond lengths. Both Hg–Cl bond lengths are 3.38 Å. In the third Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Hg–O bond lengths are 2.32 Å. O2- is bonded to four Hg2+ atoms to form a mixture of distorted edge and corner-sharing OHg4 tetrahedra. Cl1- is bonded in a 6-coordinate geometry to six Hg2+ atoms.

Publication Date:
Other Number(s):
mp-23358
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; Hg5(ClO2)2; Cl-Hg-O
OSTI Identifier:
1199452
DOI:
https://doi.org/10.17188/1199452

Citation Formats

The Materials Project. Materials Data on Hg5(ClO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199452.
The Materials Project. Materials Data on Hg5(ClO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199452
The Materials Project. 2020. "Materials Data on Hg5(ClO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199452. https://www.osti.gov/servlets/purl/1199452. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199452,
title = {Materials Data on Hg5(ClO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Hg5(O2Cl)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Hg–O bond lengths are 2.11 Å. There are a spread of Hg–Cl bond distances ranging from 2.98–3.23 Å. In the second Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.08 Å) and two longer (2.79 Å) Hg–O bond lengths. Both Hg–Cl bond lengths are 3.38 Å. In the third Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Hg–O bond lengths are 2.32 Å. O2- is bonded to four Hg2+ atoms to form a mixture of distorted edge and corner-sharing OHg4 tetrahedra. Cl1- is bonded in a 6-coordinate geometry to six Hg2+ atoms.},
doi = {10.17188/1199452},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}