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• W2509511653 endingPage "445101" @default.
• W2509511653 startingPage "445101" @default.
• W2509511653 abstract "A molecular liquid GeI4 is a candidate that undergoes a pressure-induced liquid-to-liquid phase transition. This study establishes the reference structure of the low-pressure liquid phase. Synchrotron x-ray diffraction measurements were carried out at several temperatures between the melting and the boiling points under ambient pressure. The molecule has regular tetrahedral symmetry, and the intramolecular Ge–I length of 2.51 Å is almost temperature-independent within the measured range. A reverse Monte Carlo (RMC) analysis is employed to find that the distribution of molecular centers remains self-similar against heating, and thus justifying the length-scaling method adopted in determining the density. The RMC analysis also reveals that the vertex-to-face orientation of the nearest molecules are not straightly aligned, but are inclined at about 20 degrees, thereby making the closest intermolecular I–I distance definitely shorter than the intramolecular one. The prepeak observed at ∼1 Å−1 in the structural factor slightly shifts and increases in height with increasing temperature. The origin of the prepeak is clearly identified to be traces of the 111 diffraction peak in the crystalline state. The prepeak, assuming the residual spatial correlation between germanium sites in the densest direction, thus shifts toward lower wavenumbers with thermal expansion. The aspect that a relative reduction in molecular size associated with the volume expansion is responsible for the increase in the prepeak's height is confirmed by a simulation, in which the molecular size is changed." @default.
• W2509511653 created "2016-09-16" @default.
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• W2509511653 date "2016-09-08" @default.
• W2509511653 modified "2023-10-16" @default.
• W2509511653 title "Structure of a molecular liquid GeI₄" @default.
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• W2509511653 doi "https://doi.org/10.1088/0953-8984/28/44/445101" @default.
• W2509511653 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27605016" @default.
• W2509511653 hasPublicationYear "2016" @default.
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