Materials Data on Rb2MoSe4 by Materials Project

doi:10.17188/1654927

Title: Materials Data on Rb2MoSe4 by Materials Project

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Abstract

Rb2MoSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–3.84 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.71–3.93 Å. Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.33 Å) and one longer (2.35 Å) Mo–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo6+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Rb1+ and one Mo6+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Rb1+ and one Mo6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1193232

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; Rb2MoSe4; Mo-Rb-Se

OSTI Identifier:: 1654927

DOI:: https://doi.org/10.17188/1654927

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                    The Materials Project. Materials Data on Rb2MoSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654927.

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                    The Materials Project. Materials Data on Rb2MoSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654927

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                    The Materials Project. 2020.  
"Materials Data on Rb2MoSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654927.  https://www.osti.gov/servlets/purl/1654927. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1654927,

  title        = {Materials Data on Rb2MoSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2MoSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.45–3.84 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.71–3.93 Å. Mo6+ is bonded in a tetrahedral geometry to four Se2- atoms. There are three shorter (2.33 Å) and one longer (2.35 Å) Mo–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four Rb1+ and one Mo6+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to five Rb1+ and one Mo6+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Rb1+ and one Mo6+ atom.},

  doi          = {10.17188/1654927},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1654927

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