Materials Data on Sc2VB2Ir5 by Materials Project

doi:10.17188/1195657

Title: Materials Data on Sc2VB2Ir5 by Materials Project

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Abstract

Sc2VIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.81–2.97 Å. There are one shorter (2.67 Å) and two longer (2.84 Å) Sc–B bond lengths. V is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.65 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.25 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent V, and two equivalent B atoms. Both Ir–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-20524

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; Sc2VB2Ir5; B-Ir-Sc-V

OSTI Identifier:: 1195657

DOI:: https://doi.org/10.17188/1195657

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                    The Materials Project. Materials Data on Sc2VB2Ir5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195657.

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                    The Materials Project. Materials Data on Sc2VB2Ir5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195657

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                    The Materials Project. 2020.  
"Materials Data on Sc2VB2Ir5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195657.  https://www.osti.gov/servlets/purl/1195657. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1195657,

  title        = {Materials Data on Sc2VB2Ir5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc2VIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.81–2.97 Å. There are one shorter (2.67 Å) and two longer (2.84 Å) Sc–B bond lengths. V is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.65 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.25 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent V, and two equivalent B atoms. Both Ir–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.},

  doi          = {10.17188/1195657},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1195657

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