Materials Data on CeMg2 by Materials Project

doi:10.17188/1656051

Title: Materials Data on CeMg2 by Materials Project

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Abstract

CeMg2 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with six equivalent CeCe6Mg6 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeCe6Mg6 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with seven equivalent CeCe6Mg6 cuboctahedra, and faces with thirteen equivalent MgCe3Mg9 cuboctahedra. There are six shorter (3.14 Å) and three longer (3.27 Å) Mg–Mg bond lengths. All Mg–Ce bond lengths are 3.45 Å. Ce is bonded to six equivalent Mg and six equivalent Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with six equivalent CeCe6Mg6 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeCe6Mg6 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with six equivalent CeCe6Mg6 cuboctahedra, and faces with fourteen equivalent MgCe3Mg9 cuboctahedra. All Ce–Ce bond lengths are 3.14 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1039492

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; CeMg2; Ce-Mg

OSTI Identifier:: 1656051

DOI:: https://doi.org/10.17188/1656051

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                    The Materials Project. Materials Data on CeMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1656051.

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                    The Materials Project. Materials Data on CeMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656051

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                    The Materials Project. 2020.  
"Materials Data on CeMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656051.  https://www.osti.gov/servlets/purl/1656051. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1656051,

  title        = {Materials Data on CeMg2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeMg2 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to nine equivalent Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with six equivalent CeCe6Mg6 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeCe6Mg6 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with seven equivalent CeCe6Mg6 cuboctahedra, and faces with thirteen equivalent MgCe3Mg9 cuboctahedra. There are six shorter (3.14 Å) and three longer (3.27 Å) Mg–Mg bond lengths. All Mg–Ce bond lengths are 3.45 Å. Ce is bonded to six equivalent Mg and six equivalent Ce atoms to form CeCe6Mg6 cuboctahedra that share corners with six equivalent CeCe6Mg6 cuboctahedra, corners with twelve equivalent MgCe3Mg9 cuboctahedra, edges with six equivalent CeCe6Mg6 cuboctahedra, edges with twelve equivalent MgCe3Mg9 cuboctahedra, faces with six equivalent CeCe6Mg6 cuboctahedra, and faces with fourteen equivalent MgCe3Mg9 cuboctahedra. All Ce–Ce bond lengths are 3.14 Å.},

  doi          = {10.17188/1656051},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1656051

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Materials Data on CeMg2 by Materials Project

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CeMg2 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 Ce atoms to form a mixture of corner, edge, and face-sharing MgCe6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Ce bond lengths are 3.58 Å. Ce is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Ce atoms. All Ce–Ce bond lengths are 3.73 Å.
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CeMg2 is Magnesium-derived structured and 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 nine Mg and three equivalent Ce atoms to form MgCe3Mg9 cuboctahedra that share corners with six equivalent CeCe5Mg7 cuboctahedra, corners with twelve MgCe3Mg9 cuboctahedra, edges with seven equivalent CeCe5Mg7 cuboctahedra, edges with eleven MgCe3Mg9 cuboctahedra, faces with seven equivalent CeCe5Mg7 cuboctahedra, and faces with thirteen MgCe3Mg9 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.11–3.24 Å. There are two shorter (3.44 Å) and one longer (3.50more »« less
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