Materials Data on RbB3Te2O9 by Materials Project

doi:10.17188/1298737

Title: Materials Data on RbB3Te2O9 by Materials Project

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Abstract

RbB3Te2O9 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.54 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.97–2.13 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one B3+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one B3+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one B3+ and one Te4+ atom. In the fourth O2-more »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-769383

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; RbB3Te2O9; B-O-Rb-Te

OSTI Identifier:: 1298737

DOI:: https://doi.org/10.17188/1298737

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                    The Materials Project. Materials Data on RbB3Te2O9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298737.

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                    The Materials Project. Materials Data on RbB3Te2O9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298737

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                    The Materials Project. 2020.  
"Materials Data on RbB3Te2O9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298737.  https://www.osti.gov/servlets/purl/1298737. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1298737,

  title        = {Materials Data on RbB3Te2O9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbB3Te2O9 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.54 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.37 Å) and one longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.35 Å) and two longer (1.40 Å) B–O bond length. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.97–2.13 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one B3+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one B3+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one B3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Rb1+, one B3+, and one Te4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to two equivalent Rb1+ and one B3+ atom.},

  doi          = {10.17188/1298737},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1298737

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