Materials Data on RbEu(SO4)2 by Materials Project

doi:10.17188/1269558

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

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Abstract

RbEu(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to fourteen O2- atoms. There are a spread of Rb–O bond distances ranging from 3.11–3.57 Å. Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share corners with four equivalent SO4 tetrahedra and edges with two equivalent SO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.46–2.55 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent EuO8 hexagonal bipyramids and an edgeedge with one EuO8 hexagonal bipyramid. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Eu3+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Eu3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Eu3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distortedmore »« less

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-556821

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; RbEu(SO4)2; Eu-O-Rb-S

OSTI Identifier:: 1269558

DOI:: https://doi.org/10.17188/1269558

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                    The Materials Project. Materials Data on RbEu(SO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269558.

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                    The Materials Project. Materials Data on RbEu(SO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269558

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                    The Materials Project. 2020.  
"Materials Data on RbEu(SO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269558.  https://www.osti.gov/servlets/purl/1269558. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1269558,

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

  author       = {The Materials Project},

  abstractNote = {RbEu(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to fourteen O2- atoms. There are a spread of Rb–O bond distances ranging from 3.11–3.57 Å. Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share corners with four equivalent SO4 tetrahedra and edges with two equivalent SO4 tetrahedra. There are a spread of Eu–O bond distances ranging from 2.46–2.55 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent EuO8 hexagonal bipyramids and an edgeedge with one EuO8 hexagonal bipyramid. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Eu3+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Eu3+, and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one Eu3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one Eu3+, and one S6+ atom.},

  doi          = {10.17188/1269558},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269558

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