Materials Data on RbBSe3 by Materials Project

doi:10.17188/1187194

Title: Materials Data on RbBSe3 by Materials Project

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Abstract

RbBSe3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four rubidium molecules and two BSe3 ribbons oriented in the (1, 0, 0) direction. In each BSe3 ribbon, B3- is bonded to four Se+0.67+ atoms to form corner-sharing BSe4 tetrahedra. There are two shorter (2.06 Å) and two longer (2.09 Å) B–Se bond lengths. There are three inequivalent Se+0.67+ sites. In the first Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second Se+0.67+ site, Se+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-10552

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; RbBSe3; B-Rb-Se

OSTI Identifier:: 1187194

DOI:: https://doi.org/10.17188/1187194

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                    The Materials Project. Materials Data on RbBSe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187194.

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                    The Materials Project. Materials Data on RbBSe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187194

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                    The Materials Project. 2020.  
"Materials Data on RbBSe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187194.  https://www.osti.gov/servlets/purl/1187194. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1187194,

  title        = {Materials Data on RbBSe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbBSe3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four rubidium molecules and two BSe3 ribbons oriented in the (1, 0, 0) direction. In each BSe3 ribbon, B3- is bonded to four Se+0.67+ atoms to form corner-sharing BSe4 tetrahedra. There are two shorter (2.06 Å) and two longer (2.09 Å) B–Se bond lengths. There are three inequivalent Se+0.67+ sites. In the first Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second Se+0.67+ site, Se+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom.},

  doi          = {10.17188/1187194},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187194

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