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Title: Materials Data on HgHClO4 by Materials Project

Abstract

HgHO4Cl crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two HgHO4Cl ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.11 Å. H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg and one H atom. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.50 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one H and one Cl atom. The O–Cl bond length is 1.52 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.

Publication Date:
Other Number(s):
mp-24294
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; HgHClO4; Cl-H-Hg-O
OSTI Identifier:
1200019
DOI:
https://doi.org/10.17188/1200019

Citation Formats

The Materials Project. Materials Data on HgHClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1200019.
The Materials Project. Materials Data on HgHClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1200019
The Materials Project. 2020. "Materials Data on HgHClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1200019. https://www.osti.gov/servlets/purl/1200019. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1200019,
title = {Materials Data on HgHClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {HgHO4Cl crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two HgHO4Cl ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.11 Å. H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg and one H atom. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.50 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one H and one Cl atom. The O–Cl bond length is 1.52 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.},
doi = {10.17188/1200019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}