Materials Data on CeGa3Cu by Materials Project

doi:10.17188/1705395

Title: Materials Data on CeGa3Cu by Materials Project

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Abstract

CeCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Ce–Cu bond lengths are 3.34 Å. There are eight shorter (3.24 Å) and four longer (3.34 Å) Ce–Ga bond lengths. Cu is bonded to four equivalent Ce and eight Ga atoms to form distorted CuCe4Ga8 cuboctahedra that share corners with four equivalent GaCe4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuCe4Ga8 cuboctahedra, edges with two equivalent GaCe4Ga4Cu4 cuboctahedra, faces with four equivalent CuCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Cu4 cuboctahedra. There are four shorter (2.51 Å) and four longer (3.00 Å) Cu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce, two equivalent Cu, and three Ga atoms. There are one shorter (2.45 Å) and two longer (2.51 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce, four equivalent Cu, and four equivalent Ga atoms to form GaCe4Ga4Cu4 cuboctahedra that share corners with four equivalent CuCe4Ga8 cuboctahedra, corners with twelve equivalent GaCe4Ga4Cu4 cuboctahedra, edges with two equivalent CuCe4Ga8 cuboctahedra, faces withmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1226613

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; CeGa3Cu; Ce-Cu-Ga

OSTI Identifier:: 1705395

DOI:: https://doi.org/10.17188/1705395

Citation Formats


                    The Materials Project. Materials Data on CeGa3Cu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705395.

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                    The Materials Project. Materials Data on CeGa3Cu by Materials Project.  United States.  doi:https://doi.org/10.17188/1705395

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                    The Materials Project. 2020.  
"Materials Data on CeGa3Cu by Materials Project".  United States.  doi:https://doi.org/10.17188/1705395.  https://www.osti.gov/servlets/purl/1705395. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1705395,

  title        = {Materials Data on CeGa3Cu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeCuGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All Ce–Cu bond lengths are 3.34 Å. There are eight shorter (3.24 Å) and four longer (3.34 Å) Ce–Ga bond lengths. Cu is bonded to four equivalent Ce and eight Ga atoms to form distorted CuCe4Ga8 cuboctahedra that share corners with four equivalent GaCe4Ga4Cu4 cuboctahedra, corners with twelve equivalent CuCe4Ga8 cuboctahedra, edges with two equivalent GaCe4Ga4Cu4 cuboctahedra, faces with four equivalent CuCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Cu4 cuboctahedra. There are four shorter (2.51 Å) and four longer (3.00 Å) Cu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce, two equivalent Cu, and three Ga atoms. There are one shorter (2.45 Å) and two longer (2.51 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce, four equivalent Cu, and four equivalent Ga atoms to form GaCe4Ga4Cu4 cuboctahedra that share corners with four equivalent CuCe4Ga8 cuboctahedra, corners with twelve equivalent GaCe4Ga4Cu4 cuboctahedra, edges with two equivalent CuCe4Ga8 cuboctahedra, faces with four equivalent CuCe4Ga8 cuboctahedra, and faces with four equivalent GaCe4Ga4Cu4 cuboctahedra.},

  doi          = {10.17188/1705395},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1705395

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