Materials Data on Mg3Cr by Materials Project

doi:10.17188/1740842

Title: Materials Data on Mg3Cr by Materials Project

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Abstract

Mg3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Cr atoms to form distorted MgMg8Cr4 cuboctahedra that share corners with four equivalent CrMg12 cuboctahedra, corners with fourteen equivalent MgMg8Cr4 cuboctahedra, edges with six equivalent CrMg12 cuboctahedra, edges with twelve equivalent MgMg8Cr4 cuboctahedra, faces with four equivalent CrMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Cr4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.17 Å. There are two shorter (3.04 Å) and two longer (3.09 Å) Mg–Cr bond lengths. Cr is bonded to twelve equivalent Mg atoms to form CrMg12 cuboctahedra that share corners with six equivalent CrMg12 cuboctahedra, corners with twelve equivalent MgMg8Cr4 cuboctahedra, edges with eighteen equivalent MgMg8Cr4 cuboctahedra, faces with eight equivalent CrMg12 cuboctahedra, and faces with twelve equivalent MgMg8Cr4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1185788

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; Mg3Cr; Cr-Mg

OSTI Identifier:: 1740842

DOI:: https://doi.org/10.17188/1740842

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                    The Materials Project. Materials Data on Mg3Cr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740842.

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                    The Materials Project. Materials Data on Mg3Cr by Materials Project.  United States.  doi:https://doi.org/10.17188/1740842

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                    The Materials Project. 2020.  
"Materials Data on Mg3Cr by Materials Project".  United States.  doi:https://doi.org/10.17188/1740842.  https://www.osti.gov/servlets/purl/1740842. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740842,

  title        = {Materials Data on Mg3Cr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Cr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Cr atoms to form distorted MgMg8Cr4 cuboctahedra that share corners with four equivalent CrMg12 cuboctahedra, corners with fourteen equivalent MgMg8Cr4 cuboctahedra, edges with six equivalent CrMg12 cuboctahedra, edges with twelve equivalent MgMg8Cr4 cuboctahedra, faces with four equivalent CrMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Cr4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.17 Å. There are two shorter (3.04 Å) and two longer (3.09 Å) Mg–Cr bond lengths. Cr is bonded to twelve equivalent Mg atoms to form CrMg12 cuboctahedra that share corners with six equivalent CrMg12 cuboctahedra, corners with twelve equivalent MgMg8Cr4 cuboctahedra, edges with eighteen equivalent MgMg8Cr4 cuboctahedra, faces with eight equivalent CrMg12 cuboctahedra, and faces with twelve equivalent MgMg8Cr4 cuboctahedra.},

  doi          = {10.17188/1740842},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740842

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