Pressure-Dependent Crystal Radii

SOLIDS(2023)

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摘要
This article reports the pressure-dependent crystal radii of Mg, Si, Ge, Be, Fe, Ca, Sr, Ba, Al, Ti, Li, Na, K, Cs, and of some rare earths, that is: the major Earth mantle elements, important minor, and some trace elements. Pressure dependencies of O2-, Cl-, and Br- are also reported. It is shown that all examined cation radii vary linearly with pressure. Cation radii obey strict correlations between ionic compressibilities and reference 0 GPa radii, thus reducing previous empirical rules of the influence of valence, ion size, and coordination to a simple formula. Both cation and anion radii are functions of nuclear charge number and a screening function which for anions varies with pressure, and for cations is pressure-independent. The pressure derivative of cation radii and of the anion radii at high pressure depends on electronegativity with power -1.76.
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关键词
crystal radii,pressure-dependent ionic radii,high-pressure chemistry
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