Crystal structure and thermal expansion studies of α-VO(PO3)2

Study of Phase Transformation in BaTe2O6 by in Situ High-Pressure X-ray Diffraction, Raman Spectroscopy, and First-Principles Calculations

“…35 Te2 are surrounded by five oxygen atoms with typical bond lengths of Te2−O2 = 1.800(8) Å × 1 and Te2− O3 = 2.120(4) Å × 4, reminiscent of the square pyramidal configuration of lone pair containing Te 4+ ions. 36 A. High-Pressure X-ray Diffraction. The pressure evolution of XRD patterns of BaTe 2 O 6 is shown in Figure 3.…”

“…An analysis of the refined structural parameters indicated that Te1 has a nearly regular octahedral coordination, and the typical bond lengths are: Te1–O1 = 1.928(2) Å × 2 and Te1–O3 = 1.915(4) Å × 4, which are similar to those expected for Te 6+ –O 2– bonds . Te2 are surrounded by five oxygen atoms with typical bond lengths of Te2–O2 = 1.800(8) Å × 1 and Te2–O3 = 2.120(4) Å × 4, reminiscent of the square pyramidal configuration of lone pair containing Te 4+ ions …”