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15 Απρ 2017 · The structural, mechanical and thermodynamic properties of ZrO 2 polymorphs (namely, monoclinic (P 2 1/c), tetragonal (P 4 2/nmc), cubic (F m 3 ¯ m), and orthorhombic (Pbca and Pnma)) are investigated systematically by employing DFT functionals (LDA, PBE and PW91).
4 Ιουν 2021 · A review of zirconium dioxide or zirconia ZrO2 is presented. The finding of zirconium compounds in nature, the physical and chemical properties of ZrO2 are given, the polymorphism of...
It covers the stabilisation or zirconia to produce optimal properties and details several applications for the material such as blades, seals, valves, pumps, implants, refractories and electronics. This article provides a detailed overview on zirconia.
ZrO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Zr4+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing ZrO7 pentagonal bipyramids.
ZrO2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Zr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms.
