The vibrational spectra of InVO4 and TlVO4

New Polymorph of InVO4: A High-Pressure Structure with Six-Coordinated Vanadium

“…We also collected Raman 355 spectra at ambient conditions. They resemble the one measured at 0.3 GPa and those spectra 356 reported earlier [45,46]. According to group theory, the orthorhombic low-pressure phase has 357 fifteen Raman-active modes with symmetries: Γ = 5 A g + 4 B 1g + 2 B 2g + 4 B 3g [45].…”

“…The remaining mode reported 360 in Ref. [45] at 404 cm -1 is detected in our experiments at 390 cm -1 . The observed Raman modes 361 are given in Table 2 and compared with Ref.…”

“…The pressure variations of mode frequencies can be 364 described with a linear function. The modes at high frequency are attributed to internal modes of 365 tetrahedral VO 4 groups [45], being the mode observed at 918 cm -1 the strongest one. We found 366 that the fifteen Raman modes harden upon compression.…”

“…The observed Raman modes 361 are given in Table 2 and compared with Ref. [45]; pressure coefficients are also given. Fig.…”

“…The modes labelled as ω 6 , ω 10 , ω 11 , and 367 ω 12 have the largest pressure coefficients. One of them (ω 12 ) corresponds to an internal stretching 368 mode of the VO 4 tetrahedron [22,45]. The other stretching mode, ω 15 , is also more sensitive to 369 pressure than the bending modes of the VO 4 tetrahedron (ω 5 and ω 9 ).…”