Materials Data on Sc2(SO4)3 by Materials Project

doi:10.17188/1192178

Title: Materials Data on Sc2(SO4)3 by Materials Project

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Abstract

Sc2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.10 Å) Sc–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 24–27°. All S–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one S6+ atom.

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

Other Number(s):: mp-16800

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-S-Sc; Sc2(SO4)3; crystal structure

OSTI Identifier:: 1192178

DOI:: https://doi.org/10.17188/1192178

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                    Materials Data on Sc2(SO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192178.

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                    Materials Data on Sc2(SO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192178

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                    2020.  
"Materials Data on Sc2(SO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192178.  https://www.osti.gov/servlets/purl/1192178. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1192178,

  title        = {Materials Data on Sc2(SO4)3 by Materials Project},

  
  abstractNote = {Sc2(SO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.10 Å) Sc–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 24–27°. All S–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one S6+ atom.},

  doi          = {10.17188/1192178},

  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/10.17188/1192178

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