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Title: Materials Data on NaHgCl3O2 by Materials Project

Abstract

NaHgO2Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NaHgO2Cl3 ribbons oriented in the (1, 0, 0) direction. Na is bonded to three O and one Cl atom to form distorted corner-sharing NaClO3 tetrahedra. There are two shorter (2.32 Å) and one longer (2.36 Å) Na–O bond lengths. The Na–Cl bond length is 2.90 Å. Hg is bonded in a linear geometry to two Cl atoms. There are one shorter (2.35 Å) and one longer (2.37 Å) Hg–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.64 Å. In the second O site, O is bonded in a single-bond geometry to one Na atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Na and one Hg atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Hg atom.

Publication Date:
Other Number(s):
mp-1179941
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; NaHgCl3O2; Cl-Hg-Na-O
OSTI Identifier:
1724694
DOI:
https://doi.org/10.17188/1724694

Citation Formats

The Materials Project. Materials Data on NaHgCl3O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724694.
The Materials Project. Materials Data on NaHgCl3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1724694
The Materials Project. 2020. "Materials Data on NaHgCl3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1724694. https://www.osti.gov/servlets/purl/1724694. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1724694,
title = {Materials Data on NaHgCl3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaHgO2Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NaHgO2Cl3 ribbons oriented in the (1, 0, 0) direction. Na is bonded to three O and one Cl atom to form distorted corner-sharing NaClO3 tetrahedra. There are two shorter (2.32 Å) and one longer (2.36 Å) Na–O bond lengths. The Na–Cl bond length is 2.90 Å. Hg is bonded in a linear geometry to two Cl atoms. There are one shorter (2.35 Å) and one longer (2.37 Å) Hg–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.64 Å. In the second O site, O is bonded in a single-bond geometry to one Na atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Na and one Hg atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Hg atom.},
doi = {10.17188/1724694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}