Materials Data on Er4MgGe4 by Materials Project

doi:10.17188/1747177

Title: Materials Data on Er4MgGe4 by Materials Project

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Abstract

MgEr4Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.74–3.12 Å. There are two inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.96–3.27 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.82–3.04 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six Er, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six Er, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to one Mg, seven Er, and one Ge atom. The Ge–Ge bond length is 2.73 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1212983

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; Er4MgGe4; Er-Ge-Mg

OSTI Identifier:: 1747177

DOI:: https://doi.org/10.17188/1747177

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                    The Materials Project. Materials Data on Er4MgGe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747177.

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                    The Materials Project. Materials Data on Er4MgGe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747177

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                    The Materials Project. 2020.  
"Materials Data on Er4MgGe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747177.  https://www.osti.gov/servlets/purl/1747177. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1747177,

  title        = {Materials Data on Er4MgGe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgEr4Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.74–3.12 Å. There are two inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.96–3.27 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.82–3.04 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six Er, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six Er, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to one Mg, seven Er, and one Ge atom. The Ge–Ge bond length is 2.73 Å.},

  doi          = {10.17188/1747177},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1747177

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