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• W2035884711 abstract "Kingma et al. have recently reported the diffraction evidence of a new phase transition in $ensuremath{alpha}$-quartz at 21 GPa. We use molecular dynamical calculations to show this phase to be the precursor on the way to amorphization. The powder x-ray patterns generated from the simulated structure show the emergence of superlattice peaks at ensuremath{cong}20 GPa. These predicted diffraction patterns are in excellent agreement with the experimental results and are indicative of a tripling of the unit cell in the a-b (basal) plane of $ensuremath{alpha}$-quartz. In the pressure amorphized phase the calculated structure factor, $S(Q)$, is also in excellent agreement with the experimental results of Meade et al." @default.
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• W2035884711 date "1994-07-04" @default.
• W2035884711 modified "2023-09-26" @default.
• W2035884711 title "Structure of a New High Pressure Phase inα-Quartz Determined by Molecular Dynamics Studies" @default.
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• W2035884711 doi "https://doi.org/10.1103/physrevlett.73.98" @default.
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