skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Hg2ClO by Materials Project

Abstract

Hg2OCl crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Hg2OCl ribbon oriented in the (1, 2, 1) direction. there are eight inequivalent Hg+1.50+ sites. In the first 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 2.56 Å. The Hg–Cl bond length is 2.48 Å. In the second 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 2.54 Å. The Hg–Cl bond length is 2.47 Å. In the third Hg+1.50+ site, Hg+1.50+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.05 Å) and one longer (2.06 Å) Hg–O bond lengths. In the fourth Hg+1.50+ site, Hg+1.50+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.05 Å) and one longer (2.06 Å) Hg–O bond lengths. In the fifth Hg+1.50+ site, Hg+1.50+ is bonded in a linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.04 Å. In the sixth Hg+1.50+ site, Hg+1.50+ is bonded in a distorted L-shaped geometry to one O2-more » and one Cl1- atom. The Hg–O bond length is 2.55 Å. The Hg–Cl bond length is 2.48 Å. In the seventh 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. In the eighth Hg+1.50+ site, Hg+1.50+ is bonded in a linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Hg+1.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Hg+1.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Hg+1.50+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Hg+1.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg+1.50+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg+1.50+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg+1.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg+1.50+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1279603
Report Number(s):
mp-636805
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Hg2ClO; Cl-Hg-O

Citation Formats

The Materials Project. Materials Data on Hg2ClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279603.
The Materials Project. Materials Data on Hg2ClO by Materials Project. United States. https://doi.org/10.17188/1279603
The Materials Project. 2020. "Materials Data on Hg2ClO by Materials Project". United States. https://doi.org/10.17188/1279603. https://www.osti.gov/servlets/purl/1279603.
@article{osti_1279603,
title = {Materials Data on Hg2ClO by Materials Project},
author = {The Materials Project},
abstractNote = {Hg2OCl crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Hg2OCl ribbon oriented in the (1, 2, 1) direction. there are eight inequivalent Hg+1.50+ sites. In the first 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 2.56 Å. The Hg–Cl bond length is 2.48 Å. In the second 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 2.54 Å. The Hg–Cl bond length is 2.47 Å. In the third Hg+1.50+ site, Hg+1.50+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.05 Å) and one longer (2.06 Å) Hg–O bond lengths. In the fourth Hg+1.50+ site, Hg+1.50+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.05 Å) and one longer (2.06 Å) Hg–O bond lengths. In the fifth Hg+1.50+ site, Hg+1.50+ is bonded in a linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.04 Å. In the sixth 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 2.55 Å. The Hg–Cl bond length is 2.48 Å. In the seventh 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. In the eighth Hg+1.50+ site, Hg+1.50+ is bonded in a linear geometry to two O2- atoms. Both Hg–O bond lengths are 2.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Hg+1.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Hg+1.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Hg+1.50+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Hg+1.50+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg+1.50+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg+1.50+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg+1.50+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Hg+1.50+ atom.},
doi = {10.17188/1279603},
url = {https://www.osti.gov/biblio/1279603}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}