TY - JOUR

T1 - The evolution of yugawaralite structure at high pressure: A single-crystal X-ray diffraction study

AU - Seryotkin, Yurii V.

AU - Rashchenko, Sergey V.

AU - Likhacheva, Anna Yu

N1 - The work was performed on the government assignments 122041400176–0 to IGM SB RAS and "Priority 2030″ program to NSU. We acknowledge the European Synchrotron Radiation Facility (ESRF) for the provision of synchrotron beamtime (proposal ES-1061) and we would like to thank Prof. Michael Hanfland and Dr. Davide Comboni for assistance and support in using beamline ID015b.

PY - 2024/10/1

Y1 - 2024/10/1

N2 - The structural evolution of yugawaralite |Ca1.93Na0.08(H2O)8.1|[Al3.94Si12.06O32], 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 H2O 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 SiO4-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.

AB - The structural evolution of yugawaralite |Ca1.93Na0.08(H2O)8.1|[Al3.94Si12.06O32], 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 H2O 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 SiO4-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.

KW - Diffuse scattering

KW - Phase transformation

KW - Pressure-induced hydration

KW - Single-crystal X-ray diffraction

KW - Yugawaralite

UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85199943266&origin=inward&txGid=42d89327761d0a0e55f5300b7d42d05d

UR - https://www.elibrary.ru/item.asp?id=74392818

UR - https://www.mendeley.com/catalogue/db246116-091f-3aed-a9bd-83c125f68d6f/

U2 - 10.1016/j.matchemphys.2024.129753

DO - 10.1016/j.matchemphys.2024.129753

M3 - Article

VL - 325

JO - Materials Chemistry and Physics

JF - Materials Chemistry and Physics

SN - 0254-0584

M1 - 129753

ER -