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Title: Materials Data on Mg(ClO6)2 by Materials Project

Abstract

MgO10(ClO)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hypochlorous acid molecules and two MgO10 ribbons oriented in the (1, 0, 0) direction. In each MgO10 ribbon, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.41 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.36 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the fifth O site, O is bonded in a single-bond geometry to one O atom.

Authors:
Publication Date:
Other Number(s):
mp-1193870
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; Mg(ClO6)2; Cl-Mg-O
OSTI Identifier:
1734337
DOI:
https://doi.org/10.17188/1734337

Citation Formats

The Materials Project. Materials Data on Mg(ClO6)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1734337.
The Materials Project. Materials Data on Mg(ClO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1734337
The Materials Project. 2019. "Materials Data on Mg(ClO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1734337. https://www.osti.gov/servlets/purl/1734337. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1734337,
title = {Materials Data on Mg(ClO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgO10(ClO)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hypochlorous acid molecules and two MgO10 ribbons oriented in the (1, 0, 0) direction. In each MgO10 ribbon, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.41 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.36 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the fifth O site, O is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1734337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}