Materials Data on La4MgNi by Materials Project

doi:10.17188/1691044

Title: Materials Data on La4MgNi by Materials Project

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Abstract

MgLa4Ni crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine La atoms to form a mixture of corner and face-sharing MgLa9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–La bond distances ranging from 3.46–3.70 Å. There are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent La, and three equivalent Ni atoms. All La–La bond lengths are 3.67 Å. All La–Ni bond lengths are 2.91 Å. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent La, and two equivalent Ni atoms. All La–La bond lengths are 3.79 Å. Both La–Ni bond lengths are 2.94 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent Mg, ten La, and two equivalent Ni atoms. All La–La bond lengths are 3.76 Å. Both La–Ni bond lengths are 3.67 Å. Ni is bonded in a 6-coordinate geometry to nine La atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1211561

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; La4MgNi; La-Mg-Ni

OSTI Identifier:: 1691044

DOI:: https://doi.org/10.17188/1691044

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                    The Materials Project. Materials Data on La4MgNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1691044.

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                    The Materials Project. Materials Data on La4MgNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1691044

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                    The Materials Project. 2020.  
"Materials Data on La4MgNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1691044.  https://www.osti.gov/servlets/purl/1691044. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1691044,

  title        = {Materials Data on La4MgNi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgLa4Ni crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine La atoms to form a mixture of corner and face-sharing MgLa9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.21 Å. There are a spread of Mg–La bond distances ranging from 3.46–3.70 Å. There are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent La, and three equivalent Ni atoms. All La–La bond lengths are 3.67 Å. All La–Ni bond lengths are 2.91 Å. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent La, and two equivalent Ni atoms. All La–La bond lengths are 3.79 Å. Both La–Ni bond lengths are 2.94 Å. In the third La site, La is bonded in a 4-coordinate geometry to two equivalent Mg, ten La, and two equivalent Ni atoms. All La–La bond lengths are 3.76 Å. Both La–Ni bond lengths are 3.67 Å. Ni is bonded in a 6-coordinate geometry to nine La atoms.},

  doi          = {10.17188/1691044},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1691044

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