Materials Data on Yb2S3 by Materials Project

doi:10.17188/1277964

Title: Materials Data on Yb2S3 by Materials Project

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Abstract

Yb2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. All Yb–S bond lengths are 2.80 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing YbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Yb–S bond distances ranging from 2.73–2.85 Å. S2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing SYb4 trigonal pyramids.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-619061

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; S-Yb; Yb2S3; crystal structure

OSTI Identifier:: 1277964

DOI:: https://doi.org/10.17188/1277964

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                    Materials Data on Yb2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277964.

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                    Materials Data on Yb2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277964

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                    2020.  
"Materials Data on Yb2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277964.  https://www.osti.gov/servlets/purl/1277964. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1277964,

  title        = {Materials Data on Yb2S3 by Materials Project},

  
  abstractNote = {Yb2S3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing YbS6 octahedra. All Yb–S bond lengths are 2.80 Å. In the second Yb3+ site, Yb3+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing YbS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 51°. There are a spread of Yb–S bond distances ranging from 2.73–2.85 Å. S2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing SYb4 trigonal pyramids.},

  doi          = {10.17188/1277964},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1277964

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