Materials Data on Ce2Ga12Ni by Materials Project

doi:10.17188/1273002

Title: Materials Data on Ce2Ga12Ni by Materials Project

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Abstract

Ce2NiGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.17–3.37 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.50 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. There are one shorter (2.59 Å) and two longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.43 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–3.02 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-567195

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; Ce2Ga12Ni; Ce-Ga-Ni

OSTI Identifier:: 1273002

DOI:: https://doi.org/10.17188/1273002

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                    The Materials Project. Materials Data on Ce2Ga12Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273002.

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                    The Materials Project. Materials Data on Ce2Ga12Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1273002

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                    The Materials Project. 2020.  
"Materials Data on Ce2Ga12Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1273002.  https://www.osti.gov/servlets/purl/1273002. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1273002,

  title        = {Materials Data on Ce2Ga12Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2NiGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.17–3.37 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.50 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Ce and three Ga atoms. There are one shorter (2.59 Å) and two longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. The Ga–Ga bond length is 2.43 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–3.02 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.},

  doi          = {10.17188/1273002},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1273002

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