Materials Data on Sc2In by Materials Project

doi:10.17188/1205598

Title: Materials Data on Sc2In by Materials Project

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Abstract

Sc2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent In atoms. There are two shorter (3.15 Å) and six longer (3.32 Å) Sc–Sc bond lengths. All Sc–In bond lengths are 3.32 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent In atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.15 Å) Sc–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Sc atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-31348

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; Sc2In; In-Sc

OSTI Identifier:: 1205598

DOI:: https://doi.org/10.17188/1205598

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                    The Materials Project. Materials Data on Sc2In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205598.

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                    The Materials Project. Materials Data on Sc2In by Materials Project.  United States.  doi:https://doi.org/10.17188/1205598

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                    The Materials Project. 2020.  
"Materials Data on Sc2In by Materials Project".  United States.  doi:https://doi.org/10.17188/1205598.  https://www.osti.gov/servlets/purl/1205598. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205598,

  title        = {Materials Data on Sc2In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc2In crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent In atoms. There are two shorter (3.15 Å) and six longer (3.32 Å) Sc–Sc bond lengths. All Sc–In bond lengths are 3.32 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent In atoms to form a mixture of distorted face and corner-sharing ScSc6In5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.15 Å) Sc–In bond lengths. In is bonded in a 11-coordinate geometry to eleven Sc atoms.},

  doi          = {10.17188/1205598},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205598

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