Incommensurately modulated structure of Zn$_4$Si$_2$O$_7$(OH)$_2$ ·H$_2$O at high pressure

High-resolution single-crystal X-ray diffraction experiments on Zn$_4$Si$_2$O$_7$(OH)$_2$ ·H$_2$O hemimorphite were conducted at high pressure using diamond anvil cells at several different synchrotron facilities (ESRF, Elettra, DESY). Experimental data confirmed the existence of a previously reported phase transition and revealed the exact nature of the incommensurate modulation. We report the incommensurately modulated structure described in the (3+1)D space group Pnn2(0, β, 0)000. We have determined the modulation mechanism, which involves the fluctuation of atoms between two main positions, occurring mainly along the [100] direction, perpendicular to the modulation vector. Moreover, our results reveal that the phase transition occurs at lower pressure than previously reported.

Publication Details

Journal
DESY Publication Database (PUBDB) (Deutsches Elektronen-Synchrotron)
Published
2025-01-01
Primary Topic
High-pressure geophysics and materials
Type
article
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article

Incommensurately modulated structure of Zn$_4$Si$_2$O$_7$(OH)$_2$ ·H$_2$O at high pressure

DESY Publication Database (PUBDB) (Deutsches Elektronen-Synchrotron)
High-pressure geophysics and materials
article

Incommensurately modulated structure of Zn$_4$Si$_2$O$_7$(OH)$_2$ ·H$_2$O at high pressure

article en

Abstract

High-resolution single-crystal X-ray diffraction experiments on Zn$_4$Si$_2$O$_7$(OH)$_2$ ·H$_2$O hemimorphite were conducted at high pressure using diamond anvil cells at several different synchrotron facilities (ESRF, Elettra, DESY). Experimental data confirmed the existence of a previously reported phase transition and revealed the exact nature of the incommensurate modulation. We report the incommensurately modulated structure described in the (3+1)D space group Pnn2(0, β, 0)000. We have determined the modulation mechanism, which involves the fluctuation of atoms between two main positions, occurring mainly along the [100] direction, perpendicular to the modulation vector. Moreover, our results reveal that the phase transition occurs at lower pressure than previously reported.

DESY Publication Database (PUBDB) (Deutsches Elektronen-Synchrotron)
Openalex Percentile: Top 48%
High-pressure geophysics and materials
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Incommensurately modulated structure of Zn$_4$Si$_2$O$_7$(OH)$_2$ ·H$_2$O at high pressure · DESY Publication Database (PUBDB) (Deutsches Elektronen-Synchrotron) (2025) | TGRS Research Map | TGRS