What is the Crystal Structure of Titanium boride?

Titanium boride (TiB2) is a commonly used ceramic material due to its excellent thermal conductivity, oxidative stability and wear resistance. TiB2 is used in a wide range of specialised applications such as impact-resistant armour, cutting tools, crucibles, neutron absorbers and wear-resistant coatings. TiB2 is also used in the preparation of flexible shielding materials (titanium boride nanoparticles) and aluminium vapour-coated evaporation vessels.

The single crystal TiB2 is hexagonally symmetric. The space group is P6/mmm, a = b ≠ c, α = β = 90°, γ = 120°, 1 formula unit per cell, with Ti located at (0,0,0) and B at (1/3,2/3,1/2) and (2/3,1/3,1/2). The crystal structure is shown below:

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