Materials Data on RbMg(BrO2)3 by Materials Project

doi:10.17188/1751480

Title: Materials Data on RbMg(BrO2)3 by Materials Project

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Abstract

RbMgO4Br3O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two RbMgO4Br3 sheets oriented in the (0, 1, 0) direction. In each RbMgO4Br3 sheet, Rb1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.80 Å) and two longer (3.24 Å) Rb–O bond lengths. Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.02 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.88 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.81 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a linear geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a single-bond geometry to one O2- atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1191766

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; RbMg(BrO2)3; Br-Mg-O-Rb

OSTI Identifier:: 1751480

DOI:: https://doi.org/10.17188/1751480

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                    The Materials Project. Materials Data on RbMg(BrO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751480.

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                    The Materials Project. Materials Data on RbMg(BrO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751480

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                    The Materials Project. 2020.  
"Materials Data on RbMg(BrO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751480.  https://www.osti.gov/servlets/purl/1751480. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1751480,

  title        = {Materials Data on RbMg(BrO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbMgO4Br3O2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two RbMgO4Br3 sheets oriented in the (0, 1, 0) direction. In each RbMgO4Br3 sheet, Rb1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.80 Å) and two longer (3.24 Å) Rb–O bond lengths. Mg2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.02 Å) Mg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.88 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.81 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a linear geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a single-bond geometry to one O2- atom.},

  doi          = {10.17188/1751480},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1751480

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