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Title: Materials Data on MgIO12 by Materials Project

Abstract

MgO5O2O5I crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two oxygen molecules; two O5I clusters; and two MgO5 ribbons oriented in the (1, 0, 0) direction. In each O5I cluster, there are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.89 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. I is bonded in a trigonal bipyramidal geometry to five O atoms. In each MgO5 ribbon, Mg is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.99–2.15 Å. There aremore » 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 1.28 Å. In the second O site, O is bonded in a single-bond geometry to one Mg atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one O atom. The O–O bond length is 1.27 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one O atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1194127
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; MgIO12; I-Mg-O
OSTI Identifier:
1691025
DOI:
https://doi.org/10.17188/1691025

Citation Formats

The Materials Project. Materials Data on MgIO12 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1691025.
The Materials Project. Materials Data on MgIO12 by Materials Project. United States. doi:https://doi.org/10.17188/1691025
The Materials Project. 2019. "Materials Data on MgIO12 by Materials Project". United States. doi:https://doi.org/10.17188/1691025. https://www.osti.gov/servlets/purl/1691025. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1691025,
title = {Materials Data on MgIO12 by Materials Project},
author = {The Materials Project},
abstractNote = {MgO5O2O5I crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two oxygen molecules; two O5I clusters; and two MgO5 ribbons oriented in the (1, 0, 0) direction. In each O5I cluster, there are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.89 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. I is bonded in a trigonal bipyramidal geometry to five O atoms. In each MgO5 ribbon, Mg is bonded in a distorted trigonal bipyramidal geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.99–2.15 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 1.28 Å. In the second O site, O is bonded in a single-bond geometry to one Mg atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one O atom. The O–O bond length is 1.27 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one O atom.},
doi = {10.17188/1691025},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}