Materials Data on RbSeBr3 by Materials Project

doi:10.17188/1317296

Title: Materials Data on RbSeBr3 by Materials Project

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Abstract

RbSeBr3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to two equivalent Se and seven Br atoms. Both Rb–Se bond lengths are 4.02 Å. There are a spread of Rb–Br bond distances ranging from 3.49–3.99 Å. Se is bonded in a distorted square co-planar geometry to two equivalent Rb and four Br atoms. There are two shorter (2.62 Å) and two longer (2.64 Å) Se–Br bond lengths. There are two inequivalent Br sites. In the first Br site, Br is bonded in a distorted bent 120 degrees geometry to one Rb and two equivalent Se atoms. In the second Br site, Br is bonded to three equivalent Rb and one Se atom to form a mixture of distorted edge and corner-sharing BrRb3Se trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-998299

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; RbSeBr3; Br-Rb-Se

OSTI Identifier:: 1317296

DOI:: https://doi.org/10.17188/1317296

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                    The Materials Project. Materials Data on RbSeBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317296.

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                    The Materials Project. Materials Data on RbSeBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317296

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                    The Materials Project. 2020.  
"Materials Data on RbSeBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317296.  https://www.osti.gov/servlets/purl/1317296. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1317296,

  title        = {Materials Data on RbSeBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbSeBr3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to two equivalent Se and seven Br atoms. Both Rb–Se bond lengths are 4.02 Å. There are a spread of Rb–Br bond distances ranging from 3.49–3.99 Å. Se is bonded in a distorted square co-planar geometry to two equivalent Rb and four Br atoms. There are two shorter (2.62 Å) and two longer (2.64 Å) Se–Br bond lengths. There are two inequivalent Br sites. In the first Br site, Br is bonded in a distorted bent 120 degrees geometry to one Rb and two equivalent Se atoms. In the second Br site, Br is bonded to three equivalent Rb and one Se atom to form a mixture of distorted edge and corner-sharing BrRb3Se trigonal pyramids.},

  doi          = {10.17188/1317296},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317296

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