Materials Data on RbSb3Se5 by Materials Project

doi:10.17188/1208355

Title: Materials Data on RbSb3Se5 by Materials Project

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Abstract

RbSb3Se5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.61–4.15 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.63–3.13 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.57–2.69 Å. In the third Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.63–3.17 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sb3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the fourth Se2- site,more »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-4721

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; RbSb3Se5; Rb-Sb-Se

OSTI Identifier:: 1208355

DOI:: https://doi.org/10.17188/1208355

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                    The Materials Project. Materials Data on RbSb3Se5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208355.

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                    The Materials Project. Materials Data on RbSb3Se5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208355

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                    The Materials Project. 2020.  
"Materials Data on RbSb3Se5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208355.  https://www.osti.gov/servlets/purl/1208355. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1208355,

  title        = {Materials Data on RbSb3Se5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbSb3Se5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.61–4.15 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.63–3.13 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.57–2.69 Å. In the third Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 2.63–3.17 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sb3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the fourth Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the fifth Se2- site, Se2- is bonded in a distorted L-shaped geometry to two equivalent Rb1+ and two Sb3+ atoms.},

  doi          = {10.17188/1208355},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1208355

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