Abstract
AbstractRed single crystals of β‐WO2 were synthesized under high‐pressure/high‐temperature conditions of 13.1 GPa and 1693 K in a Walker‐type multianvil apparatus. β‐WO2 crystallizes in the space group Pnma (Z=12) with the lattice parameters a=9.7878(5), b=8.4669(4), c=4.7980(2) Å, and V=397.62(3) Å3. The structure consists exclusively of WO6 octahedra, forming a twinned distorted rutile type structure. Temperature dependent X‐ray powder diffraction measurements at normal pressure conditions revealed an irreversible phase transition from β‐WO2 to α‐WO2 between 1173 and 1223 K. Magnetic measurements showed weakly positive susceptibility values which increase to lower temperatures. This is caused by traces of paramagnetic impurities. DFT calculations predict β‐WO2 to be a semiconductor with an indirect band gap of about 0.6 eV.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Zeitschrift für anorganische und allgemeine Chemie
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
