Coordination of cations in TiNb2O7 by Raman spectroscopy

The Raman spectrum of the compound TiNb₂O₇ prepared by a liquid mix technique was recorded at room temperature using the 530.98-nm line from a krypton-ion laser as exciter. The bands observed at 998 and 884 cm^?1 are assigned to the edge-shared and corner-shared NbO₆ octahedra, respectively. The relative intensities of these two bands are consistent with the structure of TiNb₂O₇ worked out by earlier investigators using X-ray and neutron diffraction. The strong band observed at 647 cm^?1 is assigned to the vibration of the TiO₆ octahedra. The octahedral coordination for both cations based on the results of the Raman spectrum measurements is in essential agreement with the available structural data for the compound TiNb₂O₇. The weak band observed at 840 cm^?1 is suggestive of the presence of NbO₄ tetrahedra in small concentrations in TiNb₂O₇.