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Title: Materials Data on MgIO12 by Materials Project

Abstract

MgO10IO2 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two oxygen molecules and one MgO10I ribbon oriented in the (0, 0, 1) direction. In the MgO10I ribbon, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.99–2.30 Å. There are ten 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 1.89 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in an L-shaped geometry to one Mg and one I atom. The O–I bond length is 1.89 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Mg and one I atom. The O–I bond length is 1.88 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Mg and one I atom. The O–I bond length is 1.88 Å. In the sixth O site, O is bonded in a single-bond geometrymore » to one I atom. The O–I bond length is 1.88 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.26 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.32 Å. In the ninth O site, O is bonded in a bent 150 degrees geometry to two equivalent Mg atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. I is bonded in an octahedral geometry to six O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1180575
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:
1719946
DOI:
https://doi.org/10.17188/1719946

Citation Formats

The Materials Project. Materials Data on MgIO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719946.
The Materials Project. Materials Data on MgIO12 by Materials Project. United States. doi:https://doi.org/10.17188/1719946
The Materials Project. 2020. "Materials Data on MgIO12 by Materials Project". United States. doi:https://doi.org/10.17188/1719946. https://www.osti.gov/servlets/purl/1719946. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1719946,
title = {Materials Data on MgIO12 by Materials Project},
author = {The Materials Project},
abstractNote = {MgO10IO2 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of two oxygen molecules and one MgO10I ribbon oriented in the (0, 0, 1) direction. In the MgO10I ribbon, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.99–2.30 Å. There are ten 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 1.89 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in an L-shaped geometry to one Mg and one I atom. The O–I bond length is 1.89 Å. In the fourth O site, O is bonded in an L-shaped geometry to one Mg and one I atom. The O–I bond length is 1.88 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Mg and one I atom. The O–I bond length is 1.88 Å. In the sixth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.88 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.26 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.32 Å. In the ninth O site, O is bonded in a bent 150 degrees geometry to two equivalent Mg atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. I is bonded in an octahedral geometry to six O atoms.},
doi = {10.17188/1719946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}