Materials Data on CeGa3Au by Materials Project

doi:10.17188/1675722

Title: Materials Data on CeGa3Au by Materials Project

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Abstract

CeAuGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Au and twelve Ga atoms. All Ce–Au bond lengths are 3.39 Å. There are a spread of Ce–Ga bond distances ranging from 3.30–3.51 Å. Au is bonded in a 5-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.49 Å) and four longer (2.58 Å) Au–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four equivalent Ce and two equivalent Au atoms. In the second Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Ce and one Au atom.

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1226631

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; CeGa3Au; Au-Ce-Ga

OSTI Identifier:: 1675722

DOI:: https://doi.org/10.17188/1675722

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                    The Materials Project. Materials Data on CeGa3Au by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1675722.

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                    The Materials Project. Materials Data on CeGa3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1675722

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                    The Materials Project. 2019.  
"Materials Data on CeGa3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1675722.  https://www.osti.gov/servlets/purl/1675722. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1675722,

  title        = {Materials Data on CeGa3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeAuGa3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Au and twelve Ga atoms. All Ce–Au bond lengths are 3.39 Å. There are a spread of Ce–Ga bond distances ranging from 3.30–3.51 Å. Au is bonded in a 5-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.49 Å) and four longer (2.58 Å) Au–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted bent 120 degrees geometry to four equivalent Ce and two equivalent Au atoms. In the second Ga site, Ga is bonded in a distorted single-bond geometry to four equivalent Ce and one Au atom.},

  doi          = {10.17188/1675722},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1675722

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