Materials Data on Rb2Si2Se5 by Materials Project

doi:10.17188/1672204

Title: Materials Data on Rb2Si2Se5 by Materials Project

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Abstract

Rb2Si2Se5 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 Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.50–4.07 Å. In the second 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 3.51–4.17 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four Se2- atoms to form corner-sharing SiSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.20–2.34 Å. In the second Si4+ site, Si4+ is bonded to four Se2- atoms to form corner-sharing SiSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.19–2.34 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Rb1+ and two Si4+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two Rb1+ and two Si4+ atoms. In the third Se2- site, Se2- is bonded in a distorted water-like geometry to four equivalent Rb1+more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1209497

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; Rb2Si2Se5; Rb-Se-Si

OSTI Identifier:: 1672204

DOI:: https://doi.org/10.17188/1672204

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                    The Materials Project. Materials Data on Rb2Si2Se5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672204.

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                    The Materials Project. Materials Data on Rb2Si2Se5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672204

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                    The Materials Project. 2020.  
"Materials Data on Rb2Si2Se5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672204.  https://www.osti.gov/servlets/purl/1672204. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1672204,

  title        = {Materials Data on Rb2Si2Se5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Si2Se5 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 Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.50–4.07 Å. In the second 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 3.51–4.17 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four Se2- atoms to form corner-sharing SiSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.20–2.34 Å. In the second Si4+ site, Si4+ is bonded to four Se2- atoms to form corner-sharing SiSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.19–2.34 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three Rb1+ and two Si4+ atoms. In the second Se2- site, Se2- is bonded in a distorted water-like geometry to two Rb1+ and two Si4+ atoms. In the third Se2- site, Se2- is bonded in a distorted water-like geometry to four equivalent Rb1+ and two equivalent Si4+ atoms. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to five Rb1+ and one Si4+ atom. In the fifth Se2- site, Se2- is bonded in a 1-coordinate geometry to four Rb1+ and one Si4+ atom. In the sixth Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Si4+ atoms.},

  doi          = {10.17188/1672204},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1672204

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