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Title: Materials Data on Mg(IO8)2 by Materials Project

Abstract

MgO6(O5I)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two O5I clusters. 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 1.90 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.87 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fifth O site, O is bonded in a water-like geometry to two equivalent I atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) O–I bond lengths. I is bonded to six O atoms to form edge-sharing IO6 octahedra.

Publication Date:
Other Number(s):
mp-1197251
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg(IO8)2; I-Mg-O
OSTI Identifier:
1694501
DOI:
https://doi.org/10.17188/1694501

Citation Formats

The Materials Project. Materials Data on Mg(IO8)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694501.
The Materials Project. Materials Data on Mg(IO8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1694501
The Materials Project. 2020. "Materials Data on Mg(IO8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1694501. https://www.osti.gov/servlets/purl/1694501. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694501,
title = {Materials Data on Mg(IO8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgO6(O5I)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two magnesium;dihydroxide;tetrahydrate molecules and two O5I clusters. 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 1.90 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.93 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.87 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the fifth O site, O is bonded in a water-like geometry to two equivalent I atoms. There are one shorter (2.00 Å) and one longer (2.01 Å) O–I bond lengths. I is bonded to six O atoms to form edge-sharing IO6 octahedra.},
doi = {10.17188/1694501},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}