Materials Data on ScRu2 by Materials Project

doi:10.17188/1274027

Title: Materials Data on ScRu2 by Materials Project

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Abstract

ScRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Sc–Ru bond distances ranging from 3.02–3.10 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Sc and six equivalent Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Sc and six Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.66 Å) Ru–Ru bond lengths.

Publication Date:: 2020-07-16

Other Number(s):: mp-567750

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ru-Sc; ScRu2; crystal structure

OSTI Identifier:: 1274027

DOI:: https://doi.org/10.17188/1274027

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                    Materials Data on ScRu2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274027.

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                    Materials Data on ScRu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274027

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                    2020.  
"Materials Data on ScRu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274027.  https://www.osti.gov/servlets/purl/1274027. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1274027,

  title        = {Materials Data on ScRu2 by Materials Project},

  
  abstractNote = {ScRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Sc–Ru bond distances ranging from 3.02–3.10 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Sc and six equivalent Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Sc and six Ru atoms to form a mixture of edge, face, and corner-sharing RuSc6Ru6 cuboctahedra. There are two shorter (2.49 Å) and two longer (2.66 Å) Ru–Ru bond lengths.},

  doi          = {10.17188/1274027},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274027

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