Single-crystal neutron-diffraction data, collected at 10 K on a natural sample of diopside, provided a structure that refined to R = 4.5% for 415 independent reflections. The structure refinement showed significant reduction of the M(2)-O(3C2),(3D2) bond lengths, resulting in a more regular M(2) polyhedron than at higher temperatures. A significant zero-point contribution to the atomic displacement parameters (ADP) was found. On average, it accounts for the 35% of the room-temperature determination. Such results confirm previous predictions based on lattice-dynamics calculations.

A single crystal neutron diffraction investigation of diopside at 10 K / M. Prencipe, M. Tribaudino, A. Pavese, A. Hoser, M. Reehuis. - In: CANADIAN MINERALOGIST. - ISSN 0008-4476. - 38:1(2000 Feb), pp. 183-189. [10.2113/​gscanmin.38.1.183]

A single crystal neutron diffraction investigation of diopside at 10 K

A. Pavese;
2000

Abstract

Single-crystal neutron-diffraction data, collected at 10 K on a natural sample of diopside, provided a structure that refined to R = 4.5% for 415 independent reflections. The structure refinement showed significant reduction of the M(2)-O(3C2),(3D2) bond lengths, resulting in a more regular M(2) polyhedron than at higher temperatures. A significant zero-point contribution to the atomic displacement parameters (ADP) was found. On average, it accounts for the 35% of the room-temperature determination. Such results confirm previous predictions based on lattice-dynamics calculations.
Settore GEO/06 - Mineralogia
feb-2000
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/179247
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