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Title: Materials Data on Hg2ClO by Materials Project

Abstract

Hg2OCl crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Hg2OCl ribbons oriented in the (1, 0, 1) direction. there are three inequivalent Hg+1.50+ sites. In the first Hg+1.50+ site, Hg+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.04 Å. In the second Hg+1.50+ site, Hg+1.50+ is bonded in a distorted linear geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Hg–O bond lengths are 2.05 Å. Both Hg–Cl bond lengths are 3.01 Å. In the third Hg+1.50+ site, Hg+1.50+ is bonded in a distorted L-shaped geometry to one O2- and one Cl1- atom. The Hg–O bond length is 2.53 Å. The Hg–Cl bond length is 2.47 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three Hg+1.50+ atoms. Cl1- is bonded in a 1-coordinate geometry to two Hg+1.50+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1181119
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; Hg2ClO; Cl-Hg-O
OSTI Identifier:
1736392
DOI:
https://doi.org/10.17188/1736392

Citation Formats

The Materials Project. Materials Data on Hg2ClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1736392.
The Materials Project. Materials Data on Hg2ClO by Materials Project. United States. doi:https://doi.org/10.17188/1736392
The Materials Project. 2020. "Materials Data on Hg2ClO by Materials Project". United States. doi:https://doi.org/10.17188/1736392. https://www.osti.gov/servlets/purl/1736392. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1736392,
title = {Materials Data on Hg2ClO by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2OCl crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Hg2OCl ribbons oriented in the (1, 0, 1) direction. there are three inequivalent Hg+1.50+ sites. In the first Hg+1.50+ site, Hg+1.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.04 Å. In the second Hg+1.50+ site, Hg+1.50+ is bonded in a distorted linear geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Hg–O bond lengths are 2.05 Å. Both Hg–Cl bond lengths are 3.01 Å. In the third Hg+1.50+ site, Hg+1.50+ is bonded in a distorted L-shaped geometry to one O2- and one Cl1- atom. The Hg–O bond length is 2.53 Å. The Hg–Cl bond length is 2.47 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three Hg+1.50+ atoms. Cl1- is bonded in a 1-coordinate geometry to two Hg+1.50+ atoms.},
doi = {10.17188/1736392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}