Materials Data on LaMg2 by Materials Project

doi:10.17188/1653172

Title: Materials Data on LaMg2 by Materials Project

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Abstract

Mg2La crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four Mg and four equivalent La atoms. There are two shorter (3.16 Å) and two longer (3.24 Å) Mg–Mg bond lengths. All Mg–La bond lengths are 3.42 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent La atoms to form MgLa6Mg6 cuboctahedra that share corners with eighteen equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent MgLa6Mg6 cuboctahedra, faces with two equivalent MgLa6Mg6 cuboctahedra, and faces with six equivalent LaLa3Mg9 cuboctahedra. All Mg–La bond lengths are 3.51 Å. La is bonded to nine Mg and three equivalent La atoms to form LaLa3Mg9 cuboctahedra that share corners with nine equivalent MgLa6Mg6 cuboctahedra, corners with nine equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent LaLa3Mg9 cuboctahedra, faces with three equivalent MgLa6Mg6 cuboctahedra, and faces with five equivalent LaLa3Mg9 cuboctahedra. All La–La bond lengths are 3.51 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094161

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; LaMg2; La-Mg

OSTI Identifier:: 1653172

DOI:: https://doi.org/10.17188/1653172

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                    The Materials Project. Materials Data on LaMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653172.

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                    The Materials Project. Materials Data on LaMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653172

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                    The Materials Project. 2020.  
"Materials Data on LaMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653172.  https://www.osti.gov/servlets/purl/1653172. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1653172,

  title        = {Materials Data on LaMg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2La crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four Mg and four equivalent La atoms. There are two shorter (3.16 Å) and two longer (3.24 Å) Mg–Mg bond lengths. All Mg–La bond lengths are 3.42 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent La atoms to form MgLa6Mg6 cuboctahedra that share corners with eighteen equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent MgLa6Mg6 cuboctahedra, faces with two equivalent MgLa6Mg6 cuboctahedra, and faces with six equivalent LaLa3Mg9 cuboctahedra. All Mg–La bond lengths are 3.51 Å. La is bonded to nine Mg and three equivalent La atoms to form LaLa3Mg9 cuboctahedra that share corners with nine equivalent MgLa6Mg6 cuboctahedra, corners with nine equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent LaLa3Mg9 cuboctahedra, faces with three equivalent MgLa6Mg6 cuboctahedra, and faces with five equivalent LaLa3Mg9 cuboctahedra. All La–La bond lengths are 3.51 Å.},

  doi          = {10.17188/1653172},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1653172

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