Materials Data on LaMg2 by Materials Project

doi:10.17188/1193875

Title: Materials Data on LaMg2 by Materials Project

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Abstract

Mg2La is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent La atoms to form a mixture of edge, face, and corner-sharing MgLa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. All Mg–La bond lengths are 3.64 Å. La is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent La atoms. All La–La bond lengths are 3.80 Å.

Publication Date:: 2020-07-15

Other Number(s):: mp-1909

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; La-Mg; LaMg2; crystal structure

OSTI Identifier:: 1193875

DOI:: https://doi.org/10.17188/1193875

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                    Materials Data on LaMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193875.

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                    Materials Data on LaMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193875

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                    2020.  
"Materials Data on LaMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193875.  https://www.osti.gov/servlets/purl/1193875. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193875,

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

  
  abstractNote = {Mg2La is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent La atoms to form a mixture of edge, face, and corner-sharing MgLa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. All Mg–La bond lengths are 3.64 Å. La is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent La atoms. All La–La bond lengths are 3.80 Å.},

  doi          = {10.17188/1193875},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1193875

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Materials Data on LaMg2 by Materials Project

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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,more »« less
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Mg2La is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent La atoms to form a mixture of corner, edge, and face-sharing MgLa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.08 Å. All Mg–La bond lengths are 3.71 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent La atoms to form a mixture of corner, edge, and face-sharing MgLa6Mg6 cuboctahedra. There are two shorter (3.09 Å) and twomore »« less
Materials Data on LaMg2 by Materials Project

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Mg2La crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent La atoms to form distorted MgLa6Mg6 cuboctahedra that share corners with six equivalent LaLa2Mg10 cuboctahedra, corners with twelve MgLa6Mg6 cuboctahedra, edges with seven equivalent LaLa2Mg10 cuboctahedra, edges with eleven equivalent MgLa4Mg8 cuboctahedra, faces with six equivalent LaLa2Mg10 cuboctahedra, and faces with fourteen MgLa6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.38–3.48 Å. All Mg–La bond lengths are 3.43 Å. In the second Mg site,more »« less
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Mg2La crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent La atoms to form MgLa5Mg7 cuboctahedra that share corners with six equivalent MgLa5Mg7 cuboctahedra, corners with six equivalent LaLa3Mg9 cuboctahedra, edges with five equivalent LaLa3Mg9 cuboctahedra, edges with six equivalent MgLa5Mg7 cuboctahedra, faces with five equivalent MgLa5Mg7 cuboctahedra, and faces with eight equivalent LaLa3Mg9 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.35 Å. There are a spread of Mg–La bond distances ranging from 3.52–3.66more »« less
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Mg2La crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to seven equivalent Mg and five equivalent La atoms to form distorted MgLa5Mg7 cuboctahedra that share corners with six equivalent LaLa2Mg10 cuboctahedra, corners with twelve equivalent MgLa5Mg7 cuboctahedra, edges with four equivalent LaLa2Mg10 cuboctahedra, edges with fourteen equivalent MgLa5Mg7 cuboctahedra, faces with eight equivalent LaLa2Mg10 cuboctahedra, and faces with twelve equivalent MgLa5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.37–3.50 Å. There are a spread of Mg–La bond distances ranging from 3.36–3.53 Å. La is bonded to ten equivalent Mg andmore »« less

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