Materials Data on Al2Mo3C by Materials Project

doi:10.17188/1192885

Title: Materials Data on Al2Mo3C by Materials Project

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Abstract

Mo3Al2C crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo is bonded in a distorted bent 150 degrees geometry to six equivalent Al and two equivalent C atoms. There are four shorter (2.84 Å) and two longer (2.93 Å) Mo–Al bond lengths. Both Mo–C bond lengths are 2.16 Å. Al is bonded to nine equivalent Mo and three equivalent Al atoms to form AlAl3Mo9 cuboctahedra that share corners with fifteen equivalent AlAl3Mo9 cuboctahedra, edges with three equivalent CMo6 octahedra, faces with ten equivalent AlAl3Mo9 cuboctahedra, and faces with four equivalent CMo6 octahedra. All Al–Al bond lengths are 2.56 Å. C is bonded to six equivalent Mo atoms to form distorted CMo6 octahedra that share corners with six equivalent CMo6 octahedra, edges with six equivalent AlAl3Mo9 cuboctahedra, and faces with eight equivalent AlAl3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-18093

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; Al2Mo3C; Al-C-Mo

OSTI Identifier:: 1192885

DOI:: https://doi.org/10.17188/1192885

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                    The Materials Project. Materials Data on Al2Mo3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192885.

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                    The Materials Project. Materials Data on Al2Mo3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1192885

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                    The Materials Project. 2020.  
"Materials Data on Al2Mo3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1192885.  https://www.osti.gov/servlets/purl/1192885. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1192885,

  title        = {Materials Data on Al2Mo3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mo3Al2C crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mo is bonded in a distorted bent 150 degrees geometry to six equivalent Al and two equivalent C atoms. There are four shorter (2.84 Å) and two longer (2.93 Å) Mo–Al bond lengths. Both Mo–C bond lengths are 2.16 Å. Al is bonded to nine equivalent Mo and three equivalent Al atoms to form AlAl3Mo9 cuboctahedra that share corners with fifteen equivalent AlAl3Mo9 cuboctahedra, edges with three equivalent CMo6 octahedra, faces with ten equivalent AlAl3Mo9 cuboctahedra, and faces with four equivalent CMo6 octahedra. All Al–Al bond lengths are 2.56 Å. C is bonded to six equivalent Mo atoms to form distorted CMo6 octahedra that share corners with six equivalent CMo6 octahedra, edges with six equivalent AlAl3Mo9 cuboctahedra, and faces with eight equivalent AlAl3Mo9 cuboctahedra. The corner-sharing octahedral tilt angles are 25°.},

  doi          = {10.17188/1192885},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192885

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