Materials Data on Rb4P2Se9 by Materials Project

doi:10.17188/1272848

Title: Materials Data on Rb4P2Se9 by Materials Project

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Abstract

Rb4P2Se9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.54–3.81 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.68–3.91 Å. P4+ is bonded in a tetrahedral geometry to four Se+1.33- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.37 Å. There are five inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Se+1.33- atoms. Both Se–Se bond lengths are 2.38 Å. In the second Se+1.33- site, Se+1.33- is bonded in a distorted single-bond geometry to two Rb1+, one P4+, and one Se+1.33- atom. In the third Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to four Rb1+ and one P4+ atom. In the fourth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to four Rb1+ and one P4+ atom. In the fifth Se+1.33- site, Se+1.33- is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-569862

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; Rb4P2Se9; P-Rb-Se

OSTI Identifier:: 1272848

DOI:: https://doi.org/10.17188/1272848

Citation Formats


                    The Materials Project. Materials Data on Rb4P2Se9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272848.

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                    The Materials Project. Materials Data on Rb4P2Se9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272848

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                    The Materials Project. 2020.  
"Materials Data on Rb4P2Se9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272848.  https://www.osti.gov/servlets/purl/1272848. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1272848,

  title        = {Materials Data on Rb4P2Se9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb4P2Se9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.54–3.81 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.68–3.91 Å. P4+ is bonded in a tetrahedral geometry to four Se+1.33- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.37 Å. There are five inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Se+1.33- atoms. Both Se–Se bond lengths are 2.38 Å. In the second Se+1.33- site, Se+1.33- is bonded in a distorted single-bond geometry to two Rb1+, one P4+, and one Se+1.33- atom. In the third Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to four Rb1+ and one P4+ atom. In the fourth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to four Rb1+ and one P4+ atom. In the fifth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to five Rb1+ and one P4+ atom.},

  doi          = {10.17188/1272848},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272848

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