Materials Data on ErGa4Ni by Materials Project

doi:10.17188/1675742

Title: Materials Data on ErGa4Ni by Materials Project

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Abstract

ErNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Er–Ni bond lengths are 3.12 Å. There are a spread of Er–Ga bond distances ranging from 2.89–3.38 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Er and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Er and six Ga atoms. There are two shorter (2.82 Å) and four longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Er, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Er, three equivalent Ni, and six Ga atoms. There are one shorter (2.62 Å) and two longer (2.93 Å) Ga–Ga bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1095496

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; ErGa4Ni; Er-Ga-Ni

OSTI Identifier:: 1675742

DOI:: https://doi.org/10.17188/1675742

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                    The Materials Project. Materials Data on ErGa4Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675742.

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                    The Materials Project. Materials Data on ErGa4Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1675742

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                    The Materials Project. 2020.  
"Materials Data on ErGa4Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1675742.  https://www.osti.gov/servlets/purl/1675742. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1675742,

  title        = {Materials Data on ErGa4Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Er–Ni bond lengths are 3.12 Å. There are a spread of Er–Ga bond distances ranging from 2.89–3.38 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Er and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Er and six Ga atoms. There are two shorter (2.82 Å) and four longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Er, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Er, three equivalent Ni, and six Ga atoms. There are one shorter (2.62 Å) and two longer (2.93 Å) Ga–Ga bond lengths.},

  doi          = {10.17188/1675742},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675742

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