Dopant incorporation into garnet solid solutions—a breakdown of Goldschmidt’s first rule

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+.