Materials Data on CeGaNi by Materials Project

doi:10.17188/1205704

Title: Materials Data on CeGaNi by Materials Project

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Abstract

CeNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ni and six equivalent Ga atoms. There are four shorter (2.87 Å) and one longer (2.90 Å) Ce–Ni bond lengths. There are two shorter (3.09 Å) and four longer (3.22 Å) Ce–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Ce and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.69 Å. Ga is bonded to six equivalent Ce, four Ni, and two equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing GaCe6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.84 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-31492

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; CeGaNi; Ce-Ga-Ni

OSTI Identifier:: 1205704

DOI:: https://doi.org/10.17188/1205704

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                    The Materials Project. Materials Data on CeGaNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205704.

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                    The Materials Project. Materials Data on CeGaNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1205704

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                    The Materials Project. 2020.  
"Materials Data on CeGaNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1205704.  https://www.osti.gov/servlets/purl/1205704. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1205704,

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

  author       = {The Materials Project},

  abstractNote = {CeNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Ni and six equivalent Ga atoms. There are four shorter (2.87 Å) and one longer (2.90 Å) Ce–Ni bond lengths. There are two shorter (3.09 Å) and four longer (3.22 Å) Ce–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Ce and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.58 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.69 Å. Ga is bonded to six equivalent Ce, four Ni, and two equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing GaCe6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.84 Å.},

  doi          = {10.17188/1205704},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205704

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