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Title: Materials Data on Mg3(HO3)2 by Materials Project

Abstract

Mg3(HO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.41 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four O atoms. There is two shorter (1.88 Å) and two longer (1.99 Å) Mg–O bond length. H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.98 Å) and one longer (1.69 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three equivalent Mg and one H atom. In the second O site, O is bonded in a 4-coordinate geometry to three Mg and one O atom. The O–O bond length is 1.57 Å. In the third O site, O is bonded in a 5-coordinate geometry to three Mg, one H, and one O atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-37315
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; Mg3(HO3)2; H-Mg-O
OSTI Identifier:
1207341
DOI:
10.17188/1207341

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg3(HO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207341.
Persson, Kristin, & Project, Materials. Materials Data on Mg3(HO3)2 by Materials Project. United States. doi:10.17188/1207341.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mg3(HO3)2 by Materials Project". United States. doi:10.17188/1207341. https://www.osti.gov/servlets/purl/1207341. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1207341,
title = {Materials Data on Mg3(HO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mg3(HO3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.41 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four O atoms. There is two shorter (1.88 Å) and two longer (1.99 Å) Mg–O bond length. H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.98 Å) and one longer (1.69 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three equivalent Mg and one H atom. In the second O site, O is bonded in a 4-coordinate geometry to three Mg and one O atom. The O–O bond length is 1.57 Å. In the third O site, O is bonded in a 5-coordinate geometry to three Mg, one H, and one O atom.},
doi = {10.17188/1207341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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