Materials Data on Ti2AlC by Materials Project

doi:10.17188/1189314

Title: Materials Data on Ti2AlC by Materials Project

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Abstract

Ti2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Ti–Al bond lengths are 2.89 Å. All Ti–C bond lengths are 2.11 Å. Al is bonded to six equivalent Ti and six equivalent Al atoms to form distorted AlTi6Al6 cuboctahedra that share corners with six equivalent AlTi6Al6 cuboctahedra, corners with six equivalent CTi6 octahedra, edges with six equivalent AlTi6Al6 cuboctahedra, edges with six equivalent CTi6 octahedra, and faces with six equivalent AlTi6Al6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Al–Al bond lengths are 3.07 Å. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent AlTi6Al6 cuboctahedra, edges with six equivalent AlTi6Al6 cuboctahedra, and edges with six equivalent CTi6 octahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-12990

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; Ti2AlC; Al-C-Ti

OSTI Identifier:: 1189314

DOI:: https://doi.org/10.17188/1189314

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                    The Materials Project. Materials Data on Ti2AlC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189314.

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                    The Materials Project. Materials Data on Ti2AlC by Materials Project.  United States.  doi:https://doi.org/10.17188/1189314

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                    The Materials Project. 2020.  
"Materials Data on Ti2AlC by Materials Project".  United States.  doi:https://doi.org/10.17188/1189314.  https://www.osti.gov/servlets/purl/1189314. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189314,

  title        = {Materials Data on Ti2AlC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Al and three equivalent C atoms. All Ti–Al bond lengths are 2.89 Å. All Ti–C bond lengths are 2.11 Å. Al is bonded to six equivalent Ti and six equivalent Al atoms to form distorted AlTi6Al6 cuboctahedra that share corners with six equivalent AlTi6Al6 cuboctahedra, corners with six equivalent CTi6 octahedra, edges with six equivalent AlTi6Al6 cuboctahedra, edges with six equivalent CTi6 octahedra, and faces with six equivalent AlTi6Al6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Al–Al bond lengths are 3.07 Å. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent AlTi6Al6 cuboctahedra, edges with six equivalent AlTi6Al6 cuboctahedra, and edges with six equivalent CTi6 octahedra.},

  doi          = {10.17188/1189314},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189314

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