Materials Data on Sc5Ge4 by Materials Project

doi:10.17188/1741740

Title: Materials Data on Sc5Ge4 by Materials Project

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Abstract

Sc5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.71–2.87 Å. In the second Sc site, Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.81–3.39 Å. In the third Sc site, Sc is bonded to six Ge atoms to form corner-sharing ScGe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Sc–Ge bond distances ranging from 2.78–2.90 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Sc and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Sc atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Sc and one Ge atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1198803

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; Sc5Ge4; Ge-Sc

OSTI Identifier:: 1741740

DOI:: https://doi.org/10.17188/1741740

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                    The Materials Project. Materials Data on Sc5Ge4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741740.

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                    The Materials Project. Materials Data on Sc5Ge4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741740

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                    The Materials Project. 2020.  
"Materials Data on Sc5Ge4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741740.  https://www.osti.gov/servlets/purl/1741740. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1741740,

  title        = {Materials Data on Sc5Ge4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.71–2.87 Å. In the second Sc site, Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.81–3.39 Å. In the third Sc site, Sc is bonded to six Ge atoms to form corner-sharing ScGe6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Sc–Ge bond distances ranging from 2.78–2.90 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Sc and one Ge atom. The Ge–Ge bond length is 2.64 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Sc atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Sc and one Ge atom.},

  doi          = {10.17188/1741740},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741740

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