Materials Data on ScH3(CO2)3 by Materials Project

doi:10.17188/1682686

Title: Materials Data on ScH3(CO2)3 by Materials Project

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Abstract

Sc(OOCH)3 crystallizes in the trigonal R-3c space group. The structure is one-dimensional and consists of three Sc(OOCH)3 ribbons oriented in the (0, 0, 1) direction. Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.10 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.26 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one C2+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1193413

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; ScH3(CO2)3; C-H-O-Sc

OSTI Identifier:: 1682686

DOI:: https://doi.org/10.17188/1682686

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                    The Materials Project. Materials Data on ScH3(CO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682686.

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                    The Materials Project. Materials Data on ScH3(CO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682686

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                    The Materials Project. 2020.  
"Materials Data on ScH3(CO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682686.  https://www.osti.gov/servlets/purl/1682686. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1682686,

  title        = {Materials Data on ScH3(CO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc(OOCH)3 crystallizes in the trigonal R-3c space group. The structure is one-dimensional and consists of three Sc(OOCH)3 ribbons oriented in the (0, 0, 1) direction. Sc3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sc–O bond lengths are 2.10 Å. C2+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.26 Å. H1+ is bonded in a single-bond geometry to one C2+ atom. O2- is bonded in a bent 150 degrees geometry to one Sc3+ and one C2+ atom.},

  doi          = {10.17188/1682686},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1682686

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