Navigation through high-dimensional chemical space: discovery of Ba₅Y₁₃[SiO₄]₈O_8.5 and Ba₃Y₂[Si₂O₇]₂.

ABSTRACT: Two compounds were discovered in the well-studied BaO-Y₂O₃-SiO₂ phase field. Two different experimental routines were used for the exploration of this system due to the differences of synthetic conditions and competition with a glass field. The first phase Ba₅Y₁₃[SiO₄]₈O_8.5 was isolated through a combination of energy dispersive X-ray spectroscopy analysis and diffraction techniques which guided the exploration. The second phase Ba₃Y₂[Si₂O₇]₂ was located using iterative algorithmic identification of target compositions. The structure solution of the new compounds was aided by continuous rotation electron diffraction, and the structures were refined

SUBMITTER: Gulay NL 

PROVIDER: S-EPMC11413733 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature