Materials Data on RbMg(BrO2)3 by Materials Project

doi:10.17188/1696394

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

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Abstract

RbMg(O2Br)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two RbMg(O2Br)3 sheets oriented in the (1, 0, 0) direction. Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.85 Å) and two longer (2.91 Å) Rb–O bond lengths. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.10–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.78 Å. In the second O2- site, O2- is bonded in a water-like geometry to one Mg2+ and one Br3+ atom. The O–Br bond length is 1.75 Å. In the third 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 1.78 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a square co-planar geometry to four O2- atoms. In the second Br3+ site, Br3+ is bonded in a single-bond geometry to onemore » O2- atom.« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1191167

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:: 1696394

DOI:: https://doi.org/10.17188/1696394

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                    The Materials Project. Materials Data on RbMg(BrO2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1696394.

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                    The Materials Project. Materials Data on RbMg(BrO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1696394

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                    The Materials Project. 2019.  
"Materials Data on RbMg(BrO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1696394.  https://www.osti.gov/servlets/purl/1696394. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1696394,

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

  author       = {The Materials Project},

  abstractNote = {RbMg(O2Br)3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two RbMg(O2Br)3 sheets oriented in the (1, 0, 0) direction. Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.85 Å) and two longer (2.91 Å) Rb–O bond lengths. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.10–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Rb1+, one Mg2+, and one Br3+ atom. The O–Br bond length is 1.78 Å. In the second O2- site, O2- is bonded in a water-like geometry to one Mg2+ and one Br3+ atom. The O–Br bond length is 1.75 Å. In the third 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 1.78 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a square co-planar geometry to four O2- atoms. In the second Br3+ site, Br3+ is bonded in a single-bond geometry to one O2- atom.},

  doi          = {10.17188/1696394},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1696394

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