Materials Data on Sm3Sc2(FeO4)3 by Materials Project

doi:10.17188/1698725

Title: Materials Data on Sm3Sc2(FeO4)3 by Materials Project

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Abstract

Sm3Sc2(FeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.43 Å) and four longer (2.52 Å) Sm–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent FeO4 tetrahedra. All Sc–O bond lengths are 2.12 Å. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Fe–O bond lengths are 1.90 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+, one Sc3+, and one Fe3+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1209643

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; Fe-O-Sc-Sm; Sm3Sc2(FeO4)3; crystal structure

OSTI Identifier:: 1698725

DOI:: https://doi.org/10.17188/1698725

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                    Materials Data on Sm3Sc2(FeO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698725.

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                    Materials Data on Sm3Sc2(FeO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698725

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                    2020.  
"Materials Data on Sm3Sc2(FeO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698725.  https://www.osti.gov/servlets/purl/1698725. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1698725,

  title        = {Materials Data on Sm3Sc2(FeO4)3 by Materials Project},

  
  abstractNote = {Sm3Sc2(FeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.43 Å) and four longer (2.52 Å) Sm–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent FeO4 tetrahedra. All Sc–O bond lengths are 2.12 Å. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Fe–O bond lengths are 1.90 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Sm3+, one Sc3+, and one Fe3+ atom.},

  doi          = {10.17188/1698725},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1698725

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