Crystal chemistry in the Ag2O–Nb2O5 system: AgNb3O8 structure determination

The investigation of the AgNbO3–Nb2O5 system is carried out using solid-state routes. This investigation allows to confirm the existence of four compounds with structure related to the Na-based homologous. A new form of AgNb3O8 is evidenced and its structure is determined on the basis of single-crystal X-ray diffraction investigations. This compound crystallizes in the orthorhombic system (SG Pbam) with cell parameters a=12.453(4) Å; b=12.416(1) Å; c=3.9700(4) Å. It presents a TTB type host network in which triangular tunnels remain empty, square ones are fully filled with Ag+ and pentagonal ones show mixed occupancy with Ag+ and [NbO]3+ entities. Crystal-chemistry investigations show that despite a complex and more or less disordered structure, no evidence for solid solution domain is observed.

The investigation via conventional solid-state route allows to settle the different compounds of the AgNbO3–Nb2O5 system. The structure of a new form of AgNb3O8 is detailed. It is related to the TTB type network with a specific mixed Ag/Nb occupancy of pentagonal tunnel driving to possible but not observed ordering.Figure optionsDownload as PowerPoint slide