Abstract

Three new isostructural mixed anionic tellurites, namely, Pb2Al3F3(Te6F2O16) (1), Pb2Ga3F3(Te6F2O16) (2) and Ba2Ga3F3(Te6F2O16) (3), have been synthesized successfully by hydrothermal reactions. Their structures feature a novel 3D framework composed of 1D GaO4F2/AlO4F2 octahedral chains joined together with isolated (Te6F2O16)10− anionic rings. The charge-balance cations of Pb2+ or Ba2+ are located at the six-member polyhedral ring tunnels of the structures. The 0D (Te6F2O16)10− coplanar anionic ring is first reported in fluorotellurites, formed by two TeO4 and four TeO3F groups via corner-sharing. Thermogravimetric analyses revealed that their thermostabilities are in the following order: Pb2Al3F3(Te6F2O16) (1), Ba2Ga3F3(Te6F2O16) (3) and Pb2Ga3F3(Te6F2O16) (2). Optical diffuse reflectance spectra showed that these solids are wide band gap semiconductors with Eg of 4.1, 4.2 and 4.4 ​eV for compounds 1–3 respectively. The band gaps of compounds 1 and 2 are determined by O, Te and Pb atoms while the band gap of compound 3 is determined by O and Te atoms based on the theoretical calculations.

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