Materials Data on Ti3AlC by Materials Project

doi:10.17188/1206359

Title: Materials Data on Ti3AlC by Materials Project

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Abstract

Ti3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Ti–Al bond lengths are 2.96 Å. Both Ti–C bond lengths are 2.09 Å. Al is bonded to twelve equivalent Ti atoms to form AlTi12 cuboctahedra that share corners with twelve equivalent AlTi12 cuboctahedra, faces with six equivalent AlTi12 cuboctahedra, and faces with eight equivalent CTi6 octahedra. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CTi6 octahedra and faces with eight equivalent AlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-14

Other Number(s):: mp-3271

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; Al-C-Ti; Ti3AlC; crystal structure

OSTI Identifier:: 1206359

DOI:: https://doi.org/10.17188/1206359

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                    Materials Data on Ti3AlC by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206359.

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                    Materials Data on Ti3AlC by Materials Project.  United States.  doi:https://doi.org/10.17188/1206359

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                    2020.  
"Materials Data on Ti3AlC by Materials Project".  United States.  doi:https://doi.org/10.17188/1206359.  https://www.osti.gov/servlets/purl/1206359. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1206359,

  title        = {Materials Data on Ti3AlC by Materials Project},

  
  abstractNote = {Ti3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Ti–Al bond lengths are 2.96 Å. Both Ti–C bond lengths are 2.09 Å. Al is bonded to twelve equivalent Ti atoms to form AlTi12 cuboctahedra that share corners with twelve equivalent AlTi12 cuboctahedra, faces with six equivalent AlTi12 cuboctahedra, and faces with eight equivalent CTi6 octahedra. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CTi6 octahedra and faces with eight equivalent AlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1206359},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206359

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