Materials Data on Mg3(HO3)2 by Materials Project

doi:10.17188/1207341

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

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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:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-37315

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; Mg3(HO3)2; H-Mg-O

OSTI Identifier:: 1207341

DOI:: https://doi.org/10.17188/1207341

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                    The Materials Project. Materials Data on Mg3(HO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207341.

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                    The Materials Project. Materials Data on Mg3(HO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207341

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                    The Materials Project. 2020.  
"Materials Data on Mg3(HO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207341.  https://www.osti.gov/servlets/purl/1207341. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1207341,

  title        = {Materials Data on Mg3(HO3)2 by Materials Project},

  author       = {The Materials Project},

  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         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207341

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