Materials Data on Sm5Ga3 by Materials Project

doi:10.17188/1197098

Title: Materials Data on Sm5Ga3 by Materials Project

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Abstract

Ga3Sm5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.07–3.34 Å. In the second Sm site, Sm is bonded to five Ga atoms to form distorted corner-sharing SmGa5 square pyramids. There are one shorter (3.11 Å) and four longer (3.12 Å) Sm–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Sm atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Sm and one Ga atom. The Ga–Ga bond length is 2.65 Å.

Publication Date:: 2020-05-02

Other Number(s):: mp-21658

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; Ga-Sm; Sm5Ga3; crystal structure

OSTI Identifier:: 1197098

DOI:: https://doi.org/10.17188/1197098

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                    Materials Data on Sm5Ga3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197098.

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                    Materials Data on Sm5Ga3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197098

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                    2020.  
"Materials Data on Sm5Ga3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197098.  https://www.osti.gov/servlets/purl/1197098. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1197098,

  title        = {Materials Data on Sm5Ga3 by Materials Project},

  
  abstractNote = {Ga3Sm5 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.07–3.34 Å. In the second Sm site, Sm is bonded to five Ga atoms to form distorted corner-sharing SmGa5 square pyramids. There are one shorter (3.11 Å) and four longer (3.12 Å) Sm–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Sm atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to eight Sm and one Ga atom. The Ga–Ga bond length is 2.65 Å.},

  doi          = {10.17188/1197098},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1197098

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