Materials Data on ScO2 by Materials Project

doi:10.17188/1682186

Title: Materials Data on ScO2 by Materials Project

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Abstract

ScO2 is Marcasite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Sc is bonded to six O atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. There are a spread of Sc–O bond distances ranging from 2.11–2.15 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Sc atoms. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Sc atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1206234

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; ScO2; O-Sc

OSTI Identifier:: 1682186

DOI:: https://doi.org/10.17188/1682186

Citation Formats


                    The Materials Project. Materials Data on ScO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682186.

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                    The Materials Project. Materials Data on ScO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682186

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                    The Materials Project. 2020.  
"Materials Data on ScO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682186.  https://www.osti.gov/servlets/purl/1682186. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1682186,

  title        = {Materials Data on ScO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScO2 is Marcasite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Sc is bonded to six O atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. There are a spread of Sc–O bond distances ranging from 2.11–2.15 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Sc atoms. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Sc atoms.},

  doi          = {10.17188/1682186},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1682186

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