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Chapter 3 Perovskite Perfect Lattice

Chapter 3 Perovskite Perfect Perovskite CompositionsThe mineral Perovskite (CaTiO3) is named after a Russian mineralogist, Count LevAleksevich von Perovski, and was discovered and named by Gustav Rose in 1839from samples found in the Ural Mountains [95]. Since then considerable atten-tion has been paid to the Perovskite family of compositions. The Perovskite is atrue engineering ceramic material with a plethora of applications spanning energyproduction (SOFC technology) [96], environmental containment (radioactive wasteencapsulation) [97] and communications (dielectric resonator materials) [98]. Of themore exotic applications, LaGaO3, PrGaO3and NdGaO3are being considered assubstrates for epitaxy of highTcsuperconductors [99].79 Chapter 3. Perovskite Perfect Crystallography of The Perovskite StructureThe Perovskite structure has the general stoichiometry ABX3, where A and B are cations and X is an anion.

Figure 3.6: Bixbyite unit cell. Blue spheres represent the cations, and red spheres represent oxygen. The A and B cations are distributed over all of the cation sites. Table 3.5: Atomic positions for cubic bixbyite [110] Site Location Co-ordinates A/B cation 8b (1 4, 4, 1 4) A/B cation 24d (x, 0, 1 4) O anion 48e (x, y, z)

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