Materials Data on Er3Ga2 by Materials Project

doi:10.17188/1654900

Title: Materials Data on Er3Ga2 by Materials Project

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Abstract

Er3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.88–3.64 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.98–3.52 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.93–3.30 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Er atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Er atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Er and one Ga atom. The Ga–Ga bond length is 2.75 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1198546

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; Er3Ga2; Er-Ga

OSTI Identifier:: 1654900

DOI:: https://doi.org/10.17188/1654900

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                    The Materials Project. Materials Data on Er3Ga2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654900.

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                    The Materials Project. Materials Data on Er3Ga2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654900

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                    The Materials Project. 2020.  
"Materials Data on Er3Ga2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654900.  https://www.osti.gov/servlets/purl/1654900. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1654900,

  title        = {Materials Data on Er3Ga2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.88–3.64 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.98–3.52 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.93–3.30 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Er atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Er atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Er and one Ga atom. The Ga–Ga bond length is 2.75 Å.},

  doi          = {10.17188/1654900},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1654900

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