Materials Data on Sc6Ga16Ir7 by Materials Project

doi:10.17188/1685794

Title: Materials Data on Sc6Ga16Ir7 by Materials Project

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Abstract

Sc6Ir7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ga atoms. All Sc–Ir bond lengths are 3.16 Å. There are four shorter (2.87 Å) and four longer (2.99 Å) Sc–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted face and corner-sharing IrSc4Ga8 cuboctahedra. There are four shorter (2.56 Å) and four longer (2.73 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sc and three equivalent Ir atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Sc and four Ir atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1193281

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; Sc6Ga16Ir7; Ga-Ir-Sc

OSTI Identifier:: 1685794

DOI:: https://doi.org/10.17188/1685794

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                    The Materials Project. Materials Data on Sc6Ga16Ir7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685794.

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                    The Materials Project. Materials Data on Sc6Ga16Ir7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685794

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                    The Materials Project. 2020.  
"Materials Data on Sc6Ga16Ir7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685794.  https://www.osti.gov/servlets/purl/1685794. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685794,

  title        = {Materials Data on Sc6Ga16Ir7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc6Ir7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ga atoms. All Sc–Ir bond lengths are 3.16 Å. There are four shorter (2.87 Å) and four longer (2.99 Å) Sc–Ga bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted face and corner-sharing IrSc4Ga8 cuboctahedra. There are four shorter (2.56 Å) and four longer (2.73 Å) Ir–Ga bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ir–Ga bond lengths are 2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sc and three equivalent Ir atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Sc and four Ir atoms.},

  doi          = {10.17188/1685794},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685794

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