Theoretical equilibrium and growth morphology of CaSO4 (anhydrite) are obtained by applying the Hartman-Perdok method and computing surface and attachment energies with a Born interatomic potential (electrostatic + dispersive + exponential repulsive terms). Dispersive coefficients derive from experimental refractivity data and the other parameters have been fitted to structural and elastic properties of the anhydrite crystal. A comparison is made with the morphology of natural samples, where the three fundamental pinacoids {100}, {010} and {001} prevail on other S forms. Finally the equilibrium shape of 2D nuclei which can form on F faces is calculated.
Theoretical equilibrium and growth morphology of anhydrite (CaSO4) crystals / D. Aquilano, M. Rubbo, M. Catti, A. Pavese, P. Ugliengo. - In: JOURNAL OF CRYSTAL GROWTH. - ISSN 0022-0248. - 125:3-4(1992), pp. 519-532. [10.1016/0022-0248(92)90292-Q]
Theoretical equilibrium and growth morphology of anhydrite (CaSO4) crystals
A. PavesePenultimo
;
1992
Abstract
Theoretical equilibrium and growth morphology of CaSO4 (anhydrite) are obtained by applying the Hartman-Perdok method and computing surface and attachment energies with a Born interatomic potential (electrostatic + dispersive + exponential repulsive terms). Dispersive coefficients derive from experimental refractivity data and the other parameters have been fitted to structural and elastic properties of the anhydrite crystal. A comparison is made with the morphology of natural samples, where the three fundamental pinacoids {100}, {010} and {001} prevail on other S forms. Finally the equilibrium shape of 2D nuclei which can form on F faces is calculated.
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