X-ray powder diffraction study of Sn_0.59Ti_0.41Te₃O₈

Abstract

The crystal structure of titanium-tin tellurium oxide Sn 0.59 Ti 0.41 Te 3 O 8 has been determined using X-ray powder diffraction techniques. At room temperature, the title compound crystallizes in cubic space group Ia-3, with lattice parameter a = 11.05515͑6͒ Å. Rietveld refinement of the structure led to final confidence factors R p = 0.0395 and R wp = 0.0577. The structure of Sn 0.59 Ti 0.41 Te 3 O 8 consists of isolated Ti/ SnO 6 -octahedra slightly deformed in the a direction. The TeO 4 E ͓E = lone pair of Te͑IV͒ atoms͔ groups are located between the octahedra ensuring the stability of the structure by Ti/ Sn-O-Te bonding contacts. Only one peak in thermal behavior was detected for this compound at 488 K by differential scanning calorimetry experiment. An IR spectroscopic study is employed as a means to obtain preliminary structural information and shows the presence of the Ti/ SnO 6 and TeO 4 E groups. This result is later confirmed by X-ray diffraction studies.

Single crystals of SnTe3O8 in the millimetre range grown by chemical vapor transport reactions

“…In subsequent studies, crystal-structure refinements on the basis of single-crystal X-ray data were reported for the mineral winstanleyite with composition (Ti 0.96 Fe 0.04 )Te 3 O 8 (Bindi & Cipriani, 2003), and for the synthetic compound ZrTe 3 O 8 (Noguera et al, 2003;Lu et al, 2019). A powder X-ray study of the solid solution Sn 0.59 Ti 0.41 Te 3 O 8 crystallizing in the M IV Te 3 O 8 structure type has also been reported (Ben Aribia et al, 2008).…”