1. The evolution of yugawaralite structure at high pressure: A single-crystal X-ray diffraction study.
- Author
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Seryotkin, Yurii V., Rashchenko, Sergey V., and Likhacheva, Anna Yu
- Subjects
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PHASE transitions , *UNIT cell , *SPACE groups , *X-ray diffraction , *ATOMIC scattering - Abstract
The structural evolution of yugawaralite |Ca 1.93 Na 0.08 (H 2 O) 8.1 |[Al 3.94 Si 12.06 O 32 ], space group Pc , a = 6.72309(15), b = 13.9990(2), c = 10.0477(2) Å, β = 111.164(2)°, V = 881.87(3) Å3, compressed in penetrating (ethanol:water 4:1) and non-penetrating (paraffin oil) media, was studied up to 3.2 GPa. Under the compression in a penetrating medium, yugawaralite experiences pressure-induced hydration. Additional H 2 O molecules occupy two positions which do not enter the coordination of the extra-framework cations: one of them is partially filled under ambient conditions, and the second is initially vacant. At around 2 GPa, yugawaralite experiences a phase transition with doubling of the a - and b -parameters of the unit cell. At high pressure the diffraction frames contain sharply broadened low-intensity diffuse reflections corresponding to a multiple increase of the unit cell metric. The structure of the high-pressure phase solved in the sub-cell, corresponding to the initial metric, is characterized by the disordering of the framework sub-chains in which the SiO 4 -tetrahedra become alternatively oriented. The pressure-induced structural changes are completely reversible. The compression of yugawaralite in a non-penetrating medium does not lead to radical structural changes. The structure symmetry is preserved; there are no signs of diffuse scattering or the splitting of atomic positions. [Display omitted] • Structural evolution of yugawaralite was studied under in situ high- P conditions. • In a penetrating medium, yugawaralite experiences pressure-induced hydration. • A new phase with a disordered framework was detected near 2 GPa. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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