Materials Data on ScF3 by Materials Project

doi:10.17188/1284892

Title: Materials Data on ScF3 by Materials Project

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Abstract

ScF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sc3+ is bonded to eight F1- atoms to form a mixture of distorted corner and edge-sharing ScF8 hexagonal bipyramids. There are a spread of Sc–F bond distances ranging from 2.08–2.51 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sc3+ atoms. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent Sc3+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 21 00:00:00 EDT 2020

Other Number(s):: mp-695817

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; ScF3; F-Sc

OSTI Identifier:: 1284892

DOI:: https://doi.org/10.17188/1284892

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                    The Materials Project. Materials Data on ScF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284892.

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                    The Materials Project. Materials Data on ScF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284892

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                    The Materials Project. 2020.  
"Materials Data on ScF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284892.  https://www.osti.gov/servlets/purl/1284892. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1284892,

  title        = {Materials Data on ScF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sc3+ is bonded to eight F1- atoms to form a mixture of distorted corner and edge-sharing ScF8 hexagonal bipyramids. There are a spread of Sc–F bond distances ranging from 2.08–2.51 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sc3+ atoms. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent Sc3+ atoms.},

  doi          = {10.17188/1284892},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 21 00:00:00 EDT 2020},

  month        = {Tue Jul 21 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1284892

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Materials Data on ScF3 by Materials Project

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