Materials Data on SmRu2 by Materials Project

doi:10.17188/1710905

Title: Materials Data on SmRu2 by Materials Project

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Abstract

SmRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twelve Ru atoms. There are nine shorter (3.13 Å) and three longer (3.26 Å) Sm–Ru bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Sm and six equivalent Ru atoms to form a mixture of edge, corner, and face-sharing RuSm6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.77 Å. In the second Ru site, Ru is bonded to six equivalent Sm and six Ru atoms to form a mixture of edge, corner, and face-sharing RuSm6Ru6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.72 Å) Ru–Ru bond lengths.

Publication Date:: 2020-05-01

Other Number(s):: mp-1102438

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; crystal structure; Ru-Sm; SmRu2

OSTI Identifier:: 1710905

DOI:: https://doi.org/10.17188/1710905

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                    Materials Data on SmRu2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710905.

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                    Materials Data on SmRu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1710905

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                    2020.  
"Materials Data on SmRu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1710905.  https://www.osti.gov/servlets/purl/1710905. Pub date:Fri May 01 20:00:00 EDT 2020

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@article{osti_1710905,

  title        = {Materials Data on SmRu2 by Materials Project},

  
  abstractNote = {SmRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twelve Ru atoms. There are nine shorter (3.13 Å) and three longer (3.26 Å) Sm–Ru bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Sm and six equivalent Ru atoms to form a mixture of edge, corner, and face-sharing RuSm6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.77 Å. In the second Ru site, Ru is bonded to six equivalent Sm and six Ru atoms to form a mixture of edge, corner, and face-sharing RuSm6Ru6 cuboctahedra. There are two shorter (2.58 Å) and two longer (2.72 Å) Ru–Ru bond lengths.},

  doi          = {10.17188/1710905},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1710905

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