Materials Data on La5Mg by Materials Project

doi:10.17188/1706071

Title: Materials Data on La5Mg by Materials Project

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Abstract

MgLa5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.40–3.90 Å. There are five inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to two equivalent Mg and five La atoms. There are a spread of La–La bond distances ranging from 3.49–3.77 Å. In the second La site, La is bonded in a 12-coordinate geometry to three equivalent Mg and three La atoms. There are one shorter (3.67 Å) and two longer (3.68 Å) La–La bond lengths. In the third La site, La is bonded in a 11-coordinate geometry to two equivalent Mg and five La atoms. There are a spread of La–La bond distances ranging from 3.59–3.79 Å. In the fourth La site, La is bonded to one Mg and eleven La atoms to form LaLa11Mg cuboctahedra that share corners with six equivalent LaLa11Mg cuboctahedra, edges with six equivalent LaLa10Mg2 cuboctahedra, and faces with five LaLa11Mg cuboctahedra. There are two shorter (3.64 Å) and two longer (3.80 Å) La–La bond lengths. In the fifth La site, La is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1094178

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:: 1706071

DOI:: https://doi.org/10.17188/1706071

Citation Formats


                    The Materials Project. Materials Data on La5Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706071.

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                    The Materials Project. Materials Data on La5Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1706071

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                    The Materials Project. 2020.  
"Materials Data on La5Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1706071.  https://www.osti.gov/servlets/purl/1706071. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1706071,

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

  author       = {The Materials Project},

  abstractNote = {MgLa5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.40–3.90 Å. There are five inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to two equivalent Mg and five La atoms. There are a spread of La–La bond distances ranging from 3.49–3.77 Å. In the second La site, La is bonded in a 12-coordinate geometry to three equivalent Mg and three La atoms. There are one shorter (3.67 Å) and two longer (3.68 Å) La–La bond lengths. In the third La site, La is bonded in a 11-coordinate geometry to two equivalent Mg and five La atoms. There are a spread of La–La bond distances ranging from 3.59–3.79 Å. In the fourth La site, La is bonded to one Mg and eleven La atoms to form LaLa11Mg cuboctahedra that share corners with six equivalent LaLa11Mg cuboctahedra, edges with six equivalent LaLa10Mg2 cuboctahedra, and faces with five LaLa11Mg cuboctahedra. There are two shorter (3.64 Å) and two longer (3.80 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 six equivalent LaLa10Mg2 cuboctahedra, edges with six equivalent LaLa11Mg cuboctahedra, and faces with five LaLa11Mg cuboctahedra. Both La–La bond lengths are 3.80 Å.},

  doi          = {10.17188/1706071},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1706071

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