Materials Data on RbLu(SO4)2 by Materials Project

doi:10.17188/1268094

Title: Materials Data on RbLu(SO4)2 by Materials Project

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Abstract

RbLu(SO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 3.02–3.15 Å. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.22–2.43 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Lu3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Lu3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Lu3+, and one S6+ atom.

Publication Date:: 2020-07-14

Other Number(s):: mp-554774

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; crystal structure; Lu-O-Rb-S; RbLu(SO4)2

OSTI Identifier:: 1268094

DOI:: https://doi.org/10.17188/1268094

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                    Materials Data on RbLu(SO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268094.

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                    Materials Data on RbLu(SO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268094

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                    2020.  
"Materials Data on RbLu(SO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268094.  https://www.osti.gov/servlets/purl/1268094. Pub date:Tue Jul 14 20:00:00 EDT 2020

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@article{osti_1268094,

  title        = {Materials Data on RbLu(SO4)2 by Materials Project},

  
  abstractNote = {RbLu(SO4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 3.02–3.15 Å. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.22–2.43 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Lu3+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Lu3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Lu3+, and one S6+ atom.},

  doi          = {10.17188/1268094},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1268094

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