K₂Sb(P₂O₇)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance

Abstract

Discovering new functional genes, designing perfect crystal structures, and developing high-performance materials are the goals being pursued by scientists. Herein, the first antimony pyrophosphate, K₂ Sb(P₂ O₇ )F, possessing an optimal layered structure, is reported, where the perfect structural arrangement induces excellent optical properties. K₂ Sb(P₂ O₇ )F not only displays a sharply enhanced birefringence (0.157@546 nm) compared to the existing phosphate optical materials, but also exhibits a strong second-harmonic generation response (4.0×KDP). Remarkably, a new bifunctional gene, the square-pyramidal SbO₄ F group, was discovered, and a unique two-dimensional arrangement of Cairo pentagonal tiling units was observed in inorganic compounds for the first time.