Materials Data on La2Ga12Pd by Materials Project

doi:10.17188/1279771

Title: Materials Data on La2Ga12Pd by Materials Project

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Abstract

La2PdGa12 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 3.24–3.44 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.59 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.66 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one La and three Ga atoms. There are one shorter (2.58 Å) and two longer (2.66 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. The Ga–Ga bond length is 2.50 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-638226

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; La2Ga12Pd; Ga-La-Pd

OSTI Identifier:: 1279771

DOI:: https://doi.org/10.17188/1279771

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                    The Materials Project. Materials Data on La2Ga12Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279771.

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                    The Materials Project. Materials Data on La2Ga12Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1279771

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                    The Materials Project. 2020.  
"Materials Data on La2Ga12Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1279771.  https://www.osti.gov/servlets/purl/1279771. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1279771,

  title        = {Materials Data on La2Ga12Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2PdGa12 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 3.24–3.44 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.59 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent La, two equivalent Pd, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.66 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one La and three Ga atoms. There are one shorter (2.58 Å) and two longer (2.66 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms. The Ga–Ga bond length is 2.50 Å. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent La and five Ga atoms.},

  doi          = {10.17188/1279771},

  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/10.17188/1279771

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