Materials Data on SmOF by Materials Project

doi:10.17188/1313276

Title: Materials Data on SmOF by Materials Project

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Abstract

SmOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Sm–O bond lengths are 2.34 Å. There are three shorter (2.51 Å) and one longer (2.53 Å) Sm–F bond lengths. O2- is bonded to four equivalent Sm3+ atoms to form distorted OSm4 tetrahedra that share corners with six equivalent OSm4 tetrahedra, corners with ten equivalent FSm4 tetrahedra, edges with three equivalent OSm4 tetrahedra, and edges with three equivalent FSm4 tetrahedra. F1- is bonded to four equivalent Sm3+ atoms to form distorted FSm4 tetrahedra that share corners with six equivalent FSm4 tetrahedra, corners with ten equivalent OSm4 tetrahedra, edges with three equivalent OSm4 tetrahedra, and edges with three equivalent FSm4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-9488

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; SmOF; F-O-Sm

OSTI Identifier:: 1313276

DOI:: https://doi.org/10.17188/1313276

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                    The Materials Project. Materials Data on SmOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313276.

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                    The Materials Project. Materials Data on SmOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1313276

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                    The Materials Project. 2020.  
"Materials Data on SmOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1313276.  https://www.osti.gov/servlets/purl/1313276. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1313276,

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

  author       = {The Materials Project},

  abstractNote = {SmOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Sm–O bond lengths are 2.34 Å. There are three shorter (2.51 Å) and one longer (2.53 Å) Sm–F bond lengths. O2- is bonded to four equivalent Sm3+ atoms to form distorted OSm4 tetrahedra that share corners with six equivalent OSm4 tetrahedra, corners with ten equivalent FSm4 tetrahedra, edges with three equivalent OSm4 tetrahedra, and edges with three equivalent FSm4 tetrahedra. F1- is bonded to four equivalent Sm3+ atoms to form distorted FSm4 tetrahedra that share corners with six equivalent FSm4 tetrahedra, corners with ten equivalent OSm4 tetrahedra, edges with three equivalent OSm4 tetrahedra, and edges with three equivalent FSm4 tetrahedra.},

  doi          = {10.17188/1313276},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1313276

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