Article

Exploring Oxonitridosilicate Synthesis: From Oxide Zeolites to Nitride Frameworks

Hongwei ZhengKey Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical EngineeringXiaoming WangKey Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical EngineeringChen‐Chen CaoKey Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical EngineeringWen LiKey Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical EngineeringLeiming FangChina Academy of Engineering PhysicsTianhui LiuAdvanced Materials Research Group, Faculty of Engineering, The University of Nottingham, University Park, Nottingham NG7 2RD, U.KHengwei WeiKey Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical EngineeringJiangbo LuSchool of Physics and Information TechnologyJie SuCollege of Chemistry and Molecular EngineeringYingxia WangCollege of Chemistry and Molecular EngineeringZupei YangSchool of Materials Science and EngineeringHuan JiaoKey Laboratory of Macromolecular Science of Shaanxi Province, School of Chemistry & Chemical Engineering

Inorganic Chemistryjournal2025en

ABI

Abstract

In this study, we synthesized the first CAN (cancrinite)-typed zeolite-like oxonitridosilicates, Ln5Ca9O2(SiNO3)[Si12N24] (Ln = La and Ce). The crystal structure of La5Ca9O2(SiNO3)[Si12N24] was determined through single-crystal X-ray diffraction (SCXRD) data and neutron powder diffraction (NPD) data refinement. The compound crystallizes in hexagonal space group P63mc (No. 186) with a = 12.9875(2) Å, c = 5.2072(1) Å, and Z = 1. The anionic framework of La5Ca9O2(SiNO3)[Si12N24] is entirely constructed from [SiN4] tetrahedra, forming larger-sized composite building units, t-can and t-ato. The Ca2+ cations in the t-can cage contribute to balancing the charge difference originating from N3– substitution for O2– in La5Ca9O2(SiNO3)[Si12N24], which was revealed by the charge density difference calculation. The Ce3+-doped La5Ca9O2(SiNO3)[Si12N24] shows a broad-band orange-red emission peaking at λ = 630 nm under UV light excitation.

Topics

Inorganic Chemistry and Materials MXene and MAX Phase Materials Electronic and Structural Properties of Oxides

Identifiers

DOI: 10.1021/acs.inorgchem.4c04210

Citations and references

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