Materials Data on CeMg2 by Materials Project

doi:10.17188/1723940

Title: Materials Data on CeMg2 by Materials Project

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Abstract

CeMg2 is Magnesium-derived structured and 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 Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe4Mg8 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with seven equivalent CeCe4Mg8 cuboctahedra, edges with eleven MgCe6Mg6 cuboctahedra, faces with six equivalent CeCe4Mg8 cuboctahedra, and faces with fourteen MgCe6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.21 Å. There are two shorter (3.34 Å) and four longer (3.43 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form MgCe2Mg10 cuboctahedra that share corners with six equivalent CeCe4Mg8 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with seven MgCe6Mg6 cuboctahedra, edges with eleven equivalent CeCe4Mg8 cuboctahedra, faces with four equivalent CeCe4Mg8 cuboctahedra, and faces with sixteen MgCe6Mg6 cuboctahedra. There are two shorter (3.20 Å) and four longer (3.26 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.59 Å. Ce is bonded to eight Mg and four equivalent Ce atoms to form CeCe4Mg8 cuboctahedra that share corners withmore »« less

Publication Date:: 2020-05-03

Other Number(s):: mp-1039345

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; Ce-Mg; CeMg2; crystal structure

OSTI Identifier:: 1723940

DOI:: https://doi.org/10.17188/1723940

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                    Materials Data on CeMg2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1723940.

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                    Materials Data on CeMg2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1723940

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                    2020.  
"Materials Data on CeMg2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1723940.  https://www.osti.gov/servlets/purl/1723940. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1723940,

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

  
  abstractNote = {CeMg2 is Magnesium-derived structured and 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 Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe4Mg8 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with seven equivalent CeCe4Mg8 cuboctahedra, edges with eleven MgCe6Mg6 cuboctahedra, faces with six equivalent CeCe4Mg8 cuboctahedra, and faces with fourteen MgCe6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.21 Å. There are two shorter (3.34 Å) and four longer (3.43 Å) Mg–Ce bond lengths. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ce atoms to form MgCe2Mg10 cuboctahedra that share corners with six equivalent CeCe4Mg8 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with seven MgCe6Mg6 cuboctahedra, edges with eleven equivalent CeCe4Mg8 cuboctahedra, faces with four equivalent CeCe4Mg8 cuboctahedra, and faces with sixteen MgCe6Mg6 cuboctahedra. There are two shorter (3.20 Å) and four longer (3.26 Å) Mg–Mg bond lengths. Both Mg–Ce bond lengths are 3.59 Å. Ce is bonded to eight Mg and four equivalent Ce atoms to form CeCe4Mg8 cuboctahedra that share corners with six equivalent CeCe4Mg8 cuboctahedra, corners with twelve MgCe6Mg6 cuboctahedra, edges with eighteen MgCe6Mg6 cuboctahedra, faces with ten MgCe6Mg6 cuboctahedra, and faces with ten equivalent CeCe4Mg8 cuboctahedra. There are two shorter (2.95 Å) and two longer (3.20 Å) Ce–Ce bond lengths.},

  doi          = {10.17188/1723940},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1723940

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Materials Data on CeMg2 by Materials Project

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CeMg2 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 Ce atoms to form MgCe5Mg7 cuboctahedra that share corners with six equivalent MgCe5Mg7 cuboctahedra, corners with six equivalent CeCe3Mg9 cuboctahedra, edges with five equivalent CeCe3Mg9 cuboctahedra, edges with six equivalent MgCe5Mg7 cuboctahedra, faces with five equivalent MgCe5Mg7 cuboctahedra, and faces with eight equivalent CeCe3Mg9 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.10–3.18 Å. There are a spread of Mg–Ce bond distances ranging from 3.40–3.66more »« less
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