Materials Data on Sm5Ga3 by Materials Project

doi:10.17188/1677021

Title: Materials Data on Sm5Ga3 by Materials Project

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Abstract

Ga3Sm5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to six Ga atoms. There are four shorter (3.10 Å) and two longer (3.63 Å) Sm–Ga bond lengths. In the second Sm site, Sm is bonded to five Ga atoms to form a mixture of distorted edge, face, and corner-sharing SmGa5 trigonal bipyramids. There are a spread of Sm–Ga bond distances ranging from 3.14–3.24 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten 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 2.64 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1105942

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; Sm5Ga3; Ga-Sm

OSTI Identifier:: 1677021

DOI:: https://doi.org/10.17188/1677021

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                    The Materials Project. Materials Data on Sm5Ga3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677021.

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                    The Materials Project. Materials Data on Sm5Ga3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677021

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                    The Materials Project. 2020.  
"Materials Data on Sm5Ga3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677021.  https://www.osti.gov/servlets/purl/1677021. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1677021,

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

  author       = {The Materials Project},

  abstractNote = {Ga3Sm5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to six Ga atoms. There are four shorter (3.10 Å) and two longer (3.63 Å) Sm–Ga bond lengths. In the second Sm site, Sm is bonded to five Ga atoms to form a mixture of distorted edge, face, and corner-sharing SmGa5 trigonal bipyramids. There are a spread of Sm–Ga bond distances ranging from 3.14–3.24 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to ten 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 2.64 Å.},

  doi          = {10.17188/1677021},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677021

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