Dopant incorporation into garnet solid solutions--a breakdown of Goldschmidt's first rule

Chem Commun (Camb). 2003 Mar 21:(6):786-7. doi: 10.1039/b211249c.

Abstract

Atomistic simulations suggest trace elements are more soluble in a 50:50 pyrope (Mg3Al2Si3O12)-grossular (Ca3Al2Si3O12) garnet mixture than in either end-member; consistent with partitioning experiments, and, contrary to Goldschmidt's first rule, large trace element cations may substitute for Mg2+, small trace elements for Ca2+.