Exploring Oxonitridosilicate Synthesis: From Oxide Zeolites to Nitride Frameworks.

In this study, we synthesized the first CAN (crinite)-typed zeolite-like oxonitridosilicates, CaO(SiNO)[SiN] ( = La and Ce). The crystal structure of LaCaO(SiNO)[SiN] was determined through single-crystal X-ray diffraction (SCXRD) data and neutron powder diffraction (NPD) data refinement. The compound crystallizes in hexagonal space group 6 (No. 186) with = 12.9875(2) Å, = 5.2072(1) Å, and = 1. The anionic framework of LaCaO(SiNO)[SiN] is entirely constructed from [SiN] tetrahedra, forming larger-sized composite building units, and . The Ca cations in the cage contribute to balancing the charge difference originating from N substitution for O in LaCaO(SiNO)[SiN], which was revealed by the charge density difference calculation. The Ce-doped LaCaO(SiNO)[SiN] shows a broad-band orange-red emission peaking at λ = 630 nm under UV light excitation.