Materials Data on AlSiCN by Materials Project

doi:10.17188/1676729

Title: Materials Data on AlSiCN by Materials Project

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Abstract

SiCAlN is Stannite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Al3+ is bonded to one C4- and three equivalent N3- atoms to form AlCN3 tetrahedra that share corners with six equivalent AlCN3 tetrahedra and corners with six equivalent SiC3N tetrahedra. The Al–C bond length is 2.02 Å. All Al–N bond lengths are 1.91 Å. Si4+ is bonded to three equivalent C4- and one N3- atom to form SiC3N tetrahedra that share corners with six equivalent AlCN3 tetrahedra and corners with six equivalent SiC3N tetrahedra. All Si–C bond lengths are 1.88 Å. The Si–N bond length is 1.82 Å. C4- is bonded to one Al3+ and three equivalent Si4+ atoms to form CAlSi3 tetrahedra that share corners with six equivalent CAlSi3 tetrahedra and corners with six equivalent NAl3Si tetrahedra. N3- is bonded to three equivalent Al3+ and one Si4+ atom to form NAl3Si tetrahedra that share corners with six equivalent CAlSi3 tetrahedra and corners with six equivalent NAl3Si tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1227998

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; AlSiCN; Al-C-N-Si

OSTI Identifier:: 1676729

DOI:: https://doi.org/10.17188/1676729

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                    The Materials Project. Materials Data on AlSiCN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676729.

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                    The Materials Project. Materials Data on AlSiCN by Materials Project.  United States.  doi:https://doi.org/10.17188/1676729

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                    The Materials Project. 2020.  
"Materials Data on AlSiCN by Materials Project".  United States.  doi:https://doi.org/10.17188/1676729.  https://www.osti.gov/servlets/purl/1676729. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1676729,

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

  author       = {The Materials Project},

  abstractNote = {SiCAlN is Stannite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Al3+ is bonded to one C4- and three equivalent N3- atoms to form AlCN3 tetrahedra that share corners with six equivalent AlCN3 tetrahedra and corners with six equivalent SiC3N tetrahedra. The Al–C bond length is 2.02 Å. All Al–N bond lengths are 1.91 Å. Si4+ is bonded to three equivalent C4- and one N3- atom to form SiC3N tetrahedra that share corners with six equivalent AlCN3 tetrahedra and corners with six equivalent SiC3N tetrahedra. All Si–C bond lengths are 1.88 Å. The Si–N bond length is 1.82 Å. C4- is bonded to one Al3+ and three equivalent Si4+ atoms to form CAlSi3 tetrahedra that share corners with six equivalent CAlSi3 tetrahedra and corners with six equivalent NAl3Si tetrahedra. N3- is bonded to three equivalent Al3+ and one Si4+ atom to form NAl3Si tetrahedra that share corners with six equivalent CAlSi3 tetrahedra and corners with six equivalent NAl3Si tetrahedra.},

  doi          = {10.17188/1676729},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1676729

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