U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg(IO8)2 by Materials Project
Abstract
Mg(O6I)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and two Mg(O6I)2 clusters. In each Mg(O6I)2 cluster, Mg is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.89 Å) and two longer (2.30 Å) Mg–O bond lengths. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mg and one I atom. The O–I bond length is 1.85 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.78 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1181590
- 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(IO8)2; I-Mg-O
- OSTI Identifier:
- 1722166
- DOI:
- https://doi.org/10.17188/1722166
Citation Formats
The Materials Project. Materials Data on Mg(IO8)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722166.
The Materials Project. Materials Data on Mg(IO8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722166
The Materials Project. 2020.
"Materials Data on Mg(IO8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722166. https://www.osti.gov/servlets/purl/1722166. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1722166,
title = {Materials Data on Mg(IO8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(O6I)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules and two Mg(O6I)2 clusters. In each Mg(O6I)2 cluster, Mg is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.89 Å) and two longer (2.30 Å) Mg–O bond lengths. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Mg and one I atom. The O–I bond length is 1.85 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.78 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Mg and one O atom. I is bonded in a tetrahedral geometry to four O atoms.},
doi = {10.17188/1722166},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}