Materials Data on La5Mg by Materials Project

doi:10.17188/1740235

Title: Materials Data on La5Mg by Materials Project

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Abstract

MgLa5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.51–3.65 Å. There are five inequivalent La sites. In the first La site, La is bonded to twelve La atoms to form LaLa12 cuboctahedra that share corners with eighteen LaLa12 cuboctahedra, edges with ten LaLa10Mg2 cuboctahedra, and faces with eighteen LaLa12 cuboctahedra. There are a spread of La–La bond distances ranging from 3.65–3.83 Å. In the second La site, La is bonded to four equivalent Mg and eight La atoms to form a mixture of distorted corner, edge, and face-sharing LaLa8Mg4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.53–3.73 Å. In the third La site, La is bonded to two equivalent Mg and ten La atoms to form a mixture of corner, edge, and face-sharing LaLa10Mg2 cuboctahedra. There are four shorter (3.62 Å) and two longer (3.73 Å) La–La bond lengths. In the fourth La site, La is bonded to two equivalent Mg and ten La atoms to form distorted LaLa10Mg2 cuboctahedra that share corners with twelve LaLa10Mg2 cuboctahedra, edges with fifteenmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1185098

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; La5Mg; La-Mg

OSTI Identifier:: 1740235

DOI:: https://doi.org/10.17188/1740235

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                    The Materials Project. Materials Data on La5Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740235.

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                    The Materials Project. Materials Data on La5Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1740235

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                    The Materials Project. 2020.  
"Materials Data on La5Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1740235.  https://www.osti.gov/servlets/purl/1740235. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740235,

  title        = {Materials Data on La5Mg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgLa5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.51–3.65 Å. There are five inequivalent La sites. In the first La site, La is bonded to twelve La atoms to form LaLa12 cuboctahedra that share corners with eighteen LaLa12 cuboctahedra, edges with ten LaLa10Mg2 cuboctahedra, and faces with eighteen LaLa12 cuboctahedra. There are a spread of La–La bond distances ranging from 3.65–3.83 Å. In the second La site, La is bonded to four equivalent Mg and eight La atoms to form a mixture of distorted corner, edge, and face-sharing LaLa8Mg4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.53–3.73 Å. In the third La site, La is bonded to two equivalent Mg and ten La atoms to form a mixture of corner, edge, and face-sharing LaLa10Mg2 cuboctahedra. There are four shorter (3.62 Å) and two longer (3.73 Å) La–La bond lengths. In the fourth La site, La is bonded to two equivalent Mg and ten La atoms to form distorted LaLa10Mg2 cuboctahedra that share corners with twelve LaLa10Mg2 cuboctahedra, edges with fifteen LaLa12 cuboctahedra, and faces with eighteen LaLa12 cuboctahedra. There are two shorter (3.73 Å) and two longer (3.84 Å) La–La bond lengths. In the fifth La site, La is bonded to two equivalent Mg and ten La atoms to form distorted LaLa10Mg2 cuboctahedra that share corners with twelve LaLa10Mg2 cuboctahedra, edges with fifteen LaLa8Mg4 cuboctahedra, and faces with eighteen LaLa12 cuboctahedra. Both La–La bond lengths are 3.73 Å.},

  doi          = {10.17188/1740235},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740235

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