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Title: Materials Data on NaClO3 by Materials Project

Abstract

NaClO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to five O and two equivalent Cl atoms. There are a spread of Na–O bond distances ranging from 2.25–3.01 Å. There are one shorter (2.95 Å) and one longer (3.27 Å) Na–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. In the third 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. Cl is bonded in a 3-coordinate geometry to two equivalent Na and one O atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-630949
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; NaClO3; Cl-Na-O
OSTI Identifier:
1279028
DOI:
10.17188/1279028

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaClO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279028.
Persson, Kristin, & Project, Materials. Materials Data on NaClO3 by Materials Project. United States. doi:10.17188/1279028.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaClO3 by Materials Project". United States. doi:10.17188/1279028. https://www.osti.gov/servlets/purl/1279028. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279028,
title = {Materials Data on NaClO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaClO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to five O and two equivalent Cl atoms. There are a spread of Na–O bond distances ranging from 2.25–3.01 Å. There are one shorter (2.95 Å) and one longer (3.27 Å) Na–Cl bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Na and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one O atom. In the third 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. Cl is bonded in a 3-coordinate geometry to two equivalent Na and one O atom.},
doi = {10.17188/1279028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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