Materials Data on RbPr(SO6)2 by Materials Project

doi:10.17188/1687830

Title: Materials Data on RbPr(SO6)2 by Materials Project

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Abstract

RbPr(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.51 Å. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.73 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Pr and one S atom. In the fourth O site, O ismore »« less

Publication Date:: Thu Apr 30 04:00:00 UTC 2020

Other Number(s):: mp-1210310

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; O-Pr-Rb-S; RbPr(SO6)2; crystal structure

OSTI Identifier:: 1687830

DOI:: https://doi.org/10.17188/1687830

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                    Materials Data on RbPr(SO6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687830.

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                    Materials Data on RbPr(SO6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687830

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                    2020.  
"Materials Data on RbPr(SO6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687830.  https://www.osti.gov/servlets/purl/1687830. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1687830,

  title        = {Materials Data on RbPr(SO6)2 by Materials Project},

  
  abstractNote = {RbPr(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.51 Å. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.73 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Pr and one S atom. In the fourth O site, O is bonded in a distorted linear geometry to one Pr and one S atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Pr and one S atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Rb and one Pr atom. In the seventh O site, O is bonded in a 1-coordinate geometry to two equivalent Rb, one Pr, and one S atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Pr and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb, one Pr, and one S atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.32 Å. In the twelfth O site, O is bonded in a water-like geometry to one Pr and one O atom.},

  doi          = {10.17188/1687830},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 04:00:00 UTC 2020},

  month        = {Thu Apr 30 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1687830

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