Materials Data on RbBa4Sb3O by Materials Project

doi:10.17188/1270751

Title: Materials Data on RbBa4Sb3O by Materials Project

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Abstract

RbBa4Sb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded to six Sb+2.33- atoms to form corner-sharing RbSb6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are four shorter (3.65 Å) and two longer (4.19 Å) Rb–Sb bond lengths. Ba2+ is bonded in a single-bond geometry to five Sb+2.33- and one O2- atom. There are a spread of Ba–Sb bond distances ranging from 3.59–3.92 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 9-coordinate geometry to two equivalent Rb1+, six equivalent Ba2+, and one Sb+2.33- atom. The Sb–Sb bond length is 2.91 Å. In the second Sb+2.33- site, Sb+2.33- is bonded in a 10-coordinate geometry to two equivalent Rb1+ and eight equivalent Ba2+ atoms. O2- is bonded in a tetrahedral geometry to four equivalent Ba2+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-559270

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; RbBa4Sb3O; Ba-O-Rb-Sb

OSTI Identifier:: 1270751

DOI:: https://doi.org/10.17188/1270751

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                    The Materials Project. Materials Data on RbBa4Sb3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270751.

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                    The Materials Project. Materials Data on RbBa4Sb3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1270751

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                    The Materials Project. 2020.  
"Materials Data on RbBa4Sb3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1270751.  https://www.osti.gov/servlets/purl/1270751. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1270751,

  title        = {Materials Data on RbBa4Sb3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbBa4Sb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded to six Sb+2.33- atoms to form corner-sharing RbSb6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are four shorter (3.65 Å) and two longer (4.19 Å) Rb–Sb bond lengths. Ba2+ is bonded in a single-bond geometry to five Sb+2.33- and one O2- atom. There are a spread of Ba–Sb bond distances ranging from 3.59–3.92 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 9-coordinate geometry to two equivalent Rb1+, six equivalent Ba2+, and one Sb+2.33- atom. The Sb–Sb bond length is 2.91 Å. In the second Sb+2.33- site, Sb+2.33- is bonded in a 10-coordinate geometry to two equivalent Rb1+ and eight equivalent Ba2+ atoms. O2- is bonded in a tetrahedral geometry to four equivalent Ba2+ atoms.},

  doi          = {10.17188/1270751},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270751

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