4.7 Article

Structure of a new bulk Ti5Al2C3 MAX phase produced by the topotactic transformation of Ti2AlC

Journal

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
Volume 32, Issue 12, Pages 3485-3491

Publisher

ELSEVIER SCI LTD
DOI: 10.1016/j.jeurceramsoc.2012.03.035

Keywords

Carbides; Sintering; Electron microscopy; X-ray methods; Powders-solid state reaction

Funding

  1. Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231, 6951370]
  2. Commonwealth of Pennsylvania's Ben Franklin Technology Development Authority through the Ben Franklin Technology Partners of Southeastern Pennsylvania
  3. Swedish Research Council (VR)
  4. Swedish Foundation for Strategic Research (SSF)
  5. Integrated Graduate Education and Research Traineeship (IGERT) under NSF [DGE-0654313]

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Upon annealing cold-pressed Ti2AlC,-325 mesh powders, at 1500 degrees C for 8 h in argon, the resulting partially sintered sample contained 43(+/- 2) wt.% of the layered ternary carbide Ti5Al2C3. Herein, the X-ray powder diffraction pattern of Ti5Al2C3 is reported for the first time and its structure and stoichiometry are confirmed through high-resolution transmission electron microscopy. This phase has a trigonal structure (space group P3m1) with a unit cell consisting of 3 formula units and cell parameters of a=3.064 angstrom, c = 48.23 angstrom. The lattice parameters determined through first principles calculations agree reasonably well with the experimentally determined values. At 147.1 GPa, the calculated bulk modulus falls between the bulk moduli of Ti2AlC and Ti3AlC2. The transformation from Ti2AlC to Ti5Al2C3 is topotactic. (C) 2012 Elsevier Ltd. All rights reserved.

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