High-pressure phase transition of AB₃-type compounds: case of tellurium trioxide.

ABSTRACT: Tellurium trioxide, TeO₃, is the only example of a trioxide adopting at ambient conditions the VF₃-type structure (a distorted variant of the cubic ReO₃ structure). Here we present a combined experimental (Raman scattering) and theoretical (DFT modelling) study on the influence of high pressure (exceeding 100 GPa) on the phase stability of this compound. In experiments the ambient-pressure VF₃-type structure (R3̄c symmetry) is preserved up to 110 GPa. In contrast, calculations indicate that above 66 GPa the R3̄c structure should transform to a YF₃-type polymorph (Pnma symmetry) with the coordination number of Te⁶⁺ increasing from 6 to 8 upon the transition. The lack of this transition in th

SUBMITTER: Kurzydlowski D 

PROVIDER: S-EPMC8697739 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature