Materials Data on La2Ga12Ni by Materials Project

doi:10.17188/1273010

Title: Materials Data on La2Ga12Ni by Materials Project

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Abstract

La2NiGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of La–Ga bond distances ranging from 3.22–3.41 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.53 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. There are one shorter (2.50 Å) and four longer (2.66 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ni, and three Ga atoms. The Ga–Ga bond length is 2.62 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to one La and three Ga atoms. The Ga–Ga bond length is 2.57 Å.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-604613

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; La2Ga12Ni; Ga-La-Ni

OSTI Identifier:: 1273010

DOI:: https://doi.org/10.17188/1273010

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                    The Materials Project. Materials Data on La2Ga12Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273010.

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                    The Materials Project. Materials Data on La2Ga12Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1273010

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                    The Materials Project. 2020.  
"Materials Data on La2Ga12Ni by Materials Project".  United States.  doi:https://doi.org/10.17188/1273010.  https://www.osti.gov/servlets/purl/1273010. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1273010,

  title        = {Materials Data on La2Ga12Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2NiGa12 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to fourteen Ga atoms. There are a spread of La–Ga bond distances ranging from 3.22–3.41 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ni–Ga bond lengths are 2.53 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. There are one shorter (2.50 Å) and four longer (2.66 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Ni, and three Ga atoms. The Ga–Ga bond length is 2.62 Å. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to one La and three Ga atoms. The Ga–Ga bond length is 2.57 Å.},

  doi          = {10.17188/1273010},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1273010

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