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High-pressure structural behaviour of heulandite

Dipartimento di Scienze della Terra, Università di Perugia, Piazza Università, 1–06100 Perugia, Italy

^* e-mail: comodip{at}unipg.it

This paper was presented at the EMPG VIII meeting in Bergamo, Italy (April 2000)

The structural evolution up to 5 GPa of a natural heulandite was studied using in situ, single-crystal X-ray diffraction data from a diamond-anvil cell (DAC) with glycerol as the pressure transmitting medium. Linear regressions yielded mean axial compressibilities for a, b and c axes of ß_a = 1.02(1)·10^–2, ß_b = 8.1(6)·10^–3, ß_c = 7.6(2)·10^–3 GPa^–1. The largest strain vector (ß₁ = 1.16 10^–2 GPa^–1) lies approximately on the diagonal of the system of channels along [100] and [001].

V₀, K₀, and K₀' refined with a third-order Birch-Murnaghan equation are: V₀ = 2121(2) ų, K₀ = 26.4(1.0) GPa, K₀' = 4.9(8). If fitted with second-order Birch-Murnaghan equation of state, fixing K₀' = 4, K₀ becomes 27.5(2) GPa.

The bulk heulandite structure compression was the result of the "soft" behaviour of the channels (K=10–19 GPa) and the more rigid behaviour of the tetrahedral framework (K 60 GPa), which underwent tilting of the fundamental polyhedral unit (FPU) chains. The T5-T5-T5 angles, between the FPUs, decreased from 162.4° at 0.0001 GPa to 156.2° at 3.4 GPa.

The position of extra-framework cations and water molecules was almost maintained within the investigated pressure range. Up to 3.7 GPa no phase transition was observed. Amorphization was clearly observed at pressure above 4 GPa. The transition to the amorphous phase was still reversible up to 5 GPa.

Key-words: zeolite, heulandite, single-crystal X-ray diffraction, high pressure, compressibility.

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