Materials Data on Ce(SbSe2)2 by Materials Project

doi:10.17188/1717096

Title: Materials Data on Ce(SbSe2)2 by Materials Project

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Abstract

Ce(SbSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce4+ is bonded to five Se2- atoms to form distorted edge-sharing CeSe5 trigonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.77–2.97 Å. There are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.68 Å) and one longer (3.31 Å) Sb–Se bond lengths. In the second Sb2+ site, Sb2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are one shorter (2.57 Å) and two longer (2.75 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one Ce4+ and two Sb2+ atoms. In the second Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to one Ce4+ and two Sb2+ atoms.

Publication Date:: 2020-04-29

Other Number(s):: mp-1080285

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; Ce(SbSe2)2; Ce-Sb-Se; crystal structure

OSTI Identifier:: 1717096

DOI:: https://doi.org/10.17188/1717096

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                    Materials Data on Ce(SbSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717096.

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                    Materials Data on Ce(SbSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717096

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                    2020.  
"Materials Data on Ce(SbSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717096.  https://www.osti.gov/servlets/purl/1717096. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1717096,

  title        = {Materials Data on Ce(SbSe2)2 by Materials Project},

  
  abstractNote = {Ce(SbSe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce4+ is bonded to five Se2- atoms to form distorted edge-sharing CeSe5 trigonal bipyramids. There are a spread of Ce–Se bond distances ranging from 2.77–2.97 Å. There are two inequivalent Sb2+ sites. In the first Sb2+ site, Sb2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.68 Å) and one longer (3.31 Å) Sb–Se bond lengths. In the second Sb2+ site, Sb2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are one shorter (2.57 Å) and two longer (2.75 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to one Ce4+ and two Sb2+ atoms. In the second Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Ce4+ atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to one Ce4+ and two Sb2+ atoms.},

  doi          = {10.17188/1717096},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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