Materials Data on Sc2BC2 by Materials Project

doi:10.17188/1187032

Title: Materials Data on Sc2BC2 by Materials Project

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Abstract

Sc2BC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc+2.50+ is bonded to five equivalent C4- atoms to form a mixture of corner and edge-sharing ScC5 square pyramids. There are one shorter (2.23 Å) and four longer (2.37 Å) Sc–C bond lengths. B3+ is bonded in a linear geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.48 Å. C4- is bonded to five equivalent Sc+2.50+ and one B3+ atom to form a mixture of corner and edge-sharing CSc5B octahedra. The corner-sharing octahedra tilt angles range from 0–7°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10343

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; Sc2BC2; B-C-Sc

OSTI Identifier:: 1187032

DOI:: https://doi.org/10.17188/1187032

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                    The Materials Project. Materials Data on Sc2BC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187032.

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                    The Materials Project. Materials Data on Sc2BC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187032

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                    The Materials Project. 2020.  
"Materials Data on Sc2BC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187032.  https://www.osti.gov/servlets/purl/1187032. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187032,

  title        = {Materials Data on Sc2BC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc2BC2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc+2.50+ is bonded to five equivalent C4- atoms to form a mixture of corner and edge-sharing ScC5 square pyramids. There are one shorter (2.23 Å) and four longer (2.37 Å) Sc–C bond lengths. B3+ is bonded in a linear geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.48 Å. C4- is bonded to five equivalent Sc+2.50+ and one B3+ atom to form a mixture of corner and edge-sharing CSc5B octahedra. The corner-sharing octahedra tilt angles range from 0–7°.},

  doi          = {10.17188/1187032},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187032

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