Materials Data on ScHCl by Materials Project

doi:10.17188/1199897

Title: Materials Data on ScHCl by Materials Project

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Abstract

ScHCl is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ScHCl sheets oriented in the (0, 0, 1) direction. Sc2+ is bonded in a 7-coordinate geometry to four equivalent H1- and three equivalent Cl1- atoms. There are one shorter (2.00 Å) and three longer (2.09 Å) Sc–H bond lengths. All Sc–Cl bond lengths are 2.59 Å. H1- is bonded to four equivalent Sc2+ atoms to form a mixture of corner and edge-sharing HSc4 tetrahedra. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Sc2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-24081

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; ScHCl; Cl-H-Sc

OSTI Identifier:: 1199897

DOI:: https://doi.org/10.17188/1199897

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                    The Materials Project. Materials Data on ScHCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199897.

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                    The Materials Project. Materials Data on ScHCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1199897

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                    The Materials Project. 2020.  
"Materials Data on ScHCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1199897.  https://www.osti.gov/servlets/purl/1199897. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1199897,

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

  author       = {The Materials Project},

  abstractNote = {ScHCl is Cotunnite-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ScHCl sheets oriented in the (0, 0, 1) direction. Sc2+ is bonded in a 7-coordinate geometry to four equivalent H1- and three equivalent Cl1- atoms. There are one shorter (2.00 Å) and three longer (2.09 Å) Sc–H bond lengths. All Sc–Cl bond lengths are 2.59 Å. H1- is bonded to four equivalent Sc2+ atoms to form a mixture of corner and edge-sharing HSc4 tetrahedra. Cl1- is bonded in a distorted T-shaped geometry to three equivalent Sc2+ atoms.},

  doi          = {10.17188/1199897},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199897

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