Materials Data on ScClO by Materials Project

doi:10.17188/1316961

Title: Materials Data on ScClO by Materials Project

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Abstract

ScOCl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one ScOCl sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a distorted single-bond geometry to one O2- and four equivalent Cl1- atoms. The Sc–O bond length is 1.78 Å. All Sc–Cl bond lengths are 2.69 Å. O2- is bonded in a single-bond geometry to one Sc3+ atom. Cl1- is bonded to four equivalent Sc3+ atoms to form a mixture of corner and edge-sharing ClSc4 tetrahedra.

Publication Date:: 2020-07-23

Other Number(s):: mp-990436

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; Cl-O-Sc; ScClO; crystal structure

OSTI Identifier:: 1316961

DOI:: https://doi.org/10.17188/1316961

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                    Materials Data on ScClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316961.

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                    Materials Data on ScClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1316961

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                    2020.  
"Materials Data on ScClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1316961.  https://www.osti.gov/servlets/purl/1316961. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1316961,

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

  
  abstractNote = {ScOCl crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one ScOCl sheet oriented in the (0, 0, 1) direction. Sc3+ is bonded in a distorted single-bond geometry to one O2- and four equivalent Cl1- atoms. The Sc–O bond length is 1.78 Å. All Sc–Cl bond lengths are 2.69 Å. O2- is bonded in a single-bond geometry to one Sc3+ atom. Cl1- is bonded to four equivalent Sc3+ atoms to form a mixture of corner and edge-sharing ClSc4 tetrahedra.},

  doi          = {10.17188/1316961},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316961

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