Materials Data on Ce2Ga10Ni by Materials Project

doi:10.17188/1300994

Title: Materials Data on Ce2Ga10Ni by Materials Project

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Abstract

Ce2NiGa10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.23–3.56 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.52 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.41 Å) and four longer (2.59 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce and eight Ga atoms to form a mixture of distorted corner and face-sharing GaCe4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.07 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and three Ga atoms. There are one shorter (2.58 Å) and two longer (2.61 Å) Ga–Ga bond lengths. 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:: 2020-07-15

Other Number(s):: mp-7720

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; Ce2Ga10Ni; Ce-Ga-Ni

OSTI Identifier:: 1300994

DOI:: https://doi.org/10.17188/1300994

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                    The Materials Project. Materials Data on Ce2Ga10Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300994.

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                    The Materials Project. Materials Data on Ce2Ga10Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1300994

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                    The Materials Project. 2020.  
"Materials Data on Ce2Ga10Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1300994.  https://www.osti.gov/servlets/purl/1300994. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1300994,

  title        = {Materials Data on Ce2Ga10Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce2NiGa10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to sixteen Ga atoms. There are a spread of Ce–Ga bond distances ranging from 3.23–3.56 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.52 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms. There are one shorter (2.41 Å) and four longer (2.59 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ce and eight Ga atoms to form a mixture of distorted corner and face-sharing GaCe4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.07 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and three Ga atoms. There are one shorter (2.58 Å) and two longer (2.61 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Ce and five Ga atoms.},

  doi          = {10.17188/1300994},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1300994

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