Materials Data on Sc3Ga5 by Materials Project

doi:10.17188/1672786

Title: Materials Data on Sc3Ga5 by Materials Project

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Abstract

Sc3Ga5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.70–3.13 Å. In the second Sc site, Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.82–3.20 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Sc and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.83 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to five Sc and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.88 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Sc and four Ga atoms. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Sc and three Ga atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1200767

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; Sc3Ga5; Ga-Sc

OSTI Identifier:: 1672786

DOI:: https://doi.org/10.17188/1672786

Citation Formats


                    The Materials Project. Materials Data on Sc3Ga5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672786.

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                    The Materials Project. Materials Data on Sc3Ga5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672786

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                    The Materials Project. 2020.  
"Materials Data on Sc3Ga5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672786.  https://www.osti.gov/servlets/purl/1672786. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1672786,

  title        = {Materials Data on Sc3Ga5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc3Ga5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.70–3.13 Å. In the second Sc site, Sc is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Sc–Ga bond distances ranging from 2.82–3.20 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Sc and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.83 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to five Sc and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.88 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Sc and four Ga atoms. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Sc and three Ga atoms.},

  doi          = {10.17188/1672786},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672786

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