Abstract
Similarity concepts applied to the solid state are particularly useful when discussing the substitution of one cation by another. Here, we present a computational study of trace-element incorporation in a range of aluminosilicate garnet solid solutions. Atomistic simulations suggest trace elements are more soluble in a 50:50 pyrope (Mg
Original language | English |
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Pages (from-to) | 199-204 |
Journal | Journal of Molecular Structure: THEOCHEM |
Volume | 727 |
DOIs | |
Publication status | Published - 2005 |