Materials Data on Ce2Mg by Materials Project

doi:10.17188/1698490

Title: Materials Data on Ce2Mg by Materials Project

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Abstract

MgCe2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten equivalent Ce atoms to form a mixture of face, edge, and corner-sharing MgCe10Mg2 cuboctahedra. Both Mg–Mg bond lengths are 3.29 Å. There are a spread of Mg–Ce bond distances ranging from 3.38–3.44 Å. Ce is bonded in a 12-coordinate geometry to five equivalent Mg and seven equivalent Ce atoms. There are a spread of Ce–Ce bond distances ranging from 2.72–3.75 Å.

Publication Date:: 2020-05-03

Other Number(s):: mp-1039605

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; Ce2Mg; crystal structure

OSTI Identifier:: 1698490

DOI:: https://doi.org/10.17188/1698490

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                    Materials Data on Ce2Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698490.

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                    Materials Data on Ce2Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1698490

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                    2020.  
"Materials Data on Ce2Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1698490.  https://www.osti.gov/servlets/purl/1698490. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1698490,

  title        = {Materials Data on Ce2Mg by Materials Project},

  
  abstractNote = {MgCe2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten equivalent Ce atoms to form a mixture of face, edge, and corner-sharing MgCe10Mg2 cuboctahedra. Both Mg–Mg bond lengths are 3.29 Å. There are a spread of Mg–Ce bond distances ranging from 3.38–3.44 Å. Ce is bonded in a 12-coordinate geometry to five equivalent Mg and seven equivalent Ce atoms. There are a spread of Ce–Ce bond distances ranging from 2.72–3.75 Å.},

  doi          = {10.17188/1698490},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698490

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Materials Data on Ce2Mg by Materials Project

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MgCe2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two MgCe2 sheets oriented in the (0, 1, 0) direction. Mg is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. There are four shorter (3.32 Å) and four longer (3.34 Å) Mg–Ce bond lengths. Ce is bonded in a 8-coordinate geometry to four equivalent Mg atoms.
Materials Data on Ce2Mg by Materials Project

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MgCe2 is Cuprite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg is bonded to six equivalent Ce atoms to form a mixture of distorted corner and edge-sharing MgCe6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are two shorter (3.06 Å) and four longer (3.11 Å) Mg–Ce bond lengths. Ce is bonded in a 4-coordinate geometry to three equivalent Mg and one Ce atom. The Ce–Ce bond length is 2.64 Å.
Materials Data on Ce2Mg by Materials Project

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MgCe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten equivalent Ce atoms to form a mixture of edge and face-sharing MgCe10Mg2 cuboctahedra. Both Mg–Mg bond lengths are 3.16 Å. There are a spread of Mg–Ce bond distances ranging from 3.34–3.46 Å. Ce is bonded in a 11-coordinate geometry to five equivalent Mg and six equivalent Ce atoms. There are a spread of Ce–Ce bond distances ranging from 3.05–3.15 Å.
Materials Data on Ce2Mg by Materials Project

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MgCe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent MgCe6Mg6 cuboctahedra, corners with twelve CeCe8Mg4 cuboctahedra, edges with four equivalent MgCe6Mg6 cuboctahedra, edges with fourteen CeCe10Mg2 cuboctahedra, faces with eight equivalent MgCe6Mg6 cuboctahedra, and faces with twelve CeCe10Mg2 cuboctahedra. There are two shorter (3.11 Å) and four longer (3.12 Å) Mg–Mg bond lengths. There are a spread of Mg–Ce bond distances ranging from 3.38–3.53 Å. There are two inequivalent Ce sites. In the first Ce site,more »« less
Materials Data on Ce2Mg by Materials Project

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MgCe2 is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six Ce atoms to form MgCe6Mg6 cuboctahedra that share corners with six equivalent CeCe12 cuboctahedra, corners with twelve equivalent MgCe6Mg6 cuboctahedra, edges with six equivalent MgCe6Mg6 cuboctahedra, edges with twelve CeCe9Mg3 cuboctahedra, faces with seven equivalent MgCe6Mg6 cuboctahedra, and faces with thirteen CeCe12 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. All Mg–Ce bond lengths are 3.52 Å. There are three inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve Cemore »« less

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