Materials Data on MgSO9 by Materials Project

doi:10.17188/1757904

Title: Materials Data on MgSO9 by Materials Project

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Abstract

MgSO5(O2)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one MgSO5 ribbon oriented in the (1, 0, 0) direction. In the MgSO5 ribbon, Mg is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.08 Å. S is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.49–1.99 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mg and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.32 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the fourth O site, O is bonded in a water-like geometry to one S and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one Mg atom.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1180517

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; MgSO9; Mg-O-S

OSTI Identifier:: 1757904

DOI:: https://doi.org/10.17188/1757904

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                    The Materials Project. Materials Data on MgSO9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757904.

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                    The Materials Project. Materials Data on MgSO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757904

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                    The Materials Project. 2020.  
"Materials Data on MgSO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757904.  https://www.osti.gov/servlets/purl/1757904. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757904,

  title        = {Materials Data on MgSO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgSO5(O2)2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one MgSO5 ribbon oriented in the (1, 0, 0) direction. In the MgSO5 ribbon, Mg is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.08 Å. S is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of S–O bond distances ranging from 1.49–1.99 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Mg and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.32 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one S atom. In the fourth O site, O is bonded in a water-like geometry to one S and one O atom. In the fifth O site, O is bonded in a single-bond geometry to one Mg atom.},

  doi          = {10.17188/1757904},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1757904

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