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Title: Materials Data on KClO3 by Materials Project

Abstract

KClO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.86–3.18 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent K and one Cl atom. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded to three equivalent K and one Cl atom to form a mixture of distorted edge and corner-sharing OK3Cl tetrahedra. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.

Authors:
Publication Date:
Other Number(s):
mp-23022
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; KClO3; Cl-K-O
OSTI Identifier:
1199173
DOI:
https://doi.org/10.17188/1199173

Citation Formats

The Materials Project. Materials Data on KClO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199173.
The Materials Project. Materials Data on KClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1199173
The Materials Project. 2020. "Materials Data on KClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1199173. https://www.osti.gov/servlets/purl/1199173. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199173,
title = {Materials Data on KClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {KClO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.86–3.18 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three equivalent K and one Cl atom. The O–Cl bond length is 1.51 Å. In the second O site, O is bonded to three equivalent K and one Cl atom to form a mixture of distorted edge and corner-sharing OK3Cl tetrahedra. The O–Cl bond length is 1.51 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.},
doi = {10.17188/1199173},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}