Materials Data on CsY(SeO3)2 by Materials Project

doi:10.17188/1711159

Title: Materials Data on CsY(SeO3)2 by Materials Project

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Abstract

CsY(SeO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra and edges with six equivalent YO6 octahedra. There are six shorter (3.30 Å) and six longer (3.52 Å) Cs–O bond lengths. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share edges with six equivalent CsO12 cuboctahedra. All Y–O bond lengths are 2.28 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.73 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Y3+, and one Se4+ atom.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1195090

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; Cs-O-Se-Y; CsY(SeO3)2; crystal structure

OSTI Identifier:: 1711159

DOI:: https://doi.org/10.17188/1711159

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                    Materials Data on CsY(SeO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711159.

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                    Materials Data on CsY(SeO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711159

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                    2020.  
"Materials Data on CsY(SeO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711159.  https://www.osti.gov/servlets/purl/1711159. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1711159,

  title        = {Materials Data on CsY(SeO3)2 by Materials Project},

  
  abstractNote = {CsY(SeO3)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra and edges with six equivalent YO6 octahedra. There are six shorter (3.30 Å) and six longer (3.52 Å) Cs–O bond lengths. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share edges with six equivalent CsO12 cuboctahedra. All Y–O bond lengths are 2.28 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.73 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Y3+, and one Se4+ atom.},

  doi          = {10.17188/1711159},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1711159

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