Phase Transitions of Ti3O5

✍ Scribed by Masashige Onoda

• Publisher: Elsevier Science
• Year: 1998
• Tongue: English
• Weight: 272 KB
• Volume: 136
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1997.7657

✦ Synopsis

The crystal structure and electronic state of Ti 3 O 5 , which undergoes first-order structural and magnetic-nonmagnetic transitions at 460 K on heating and 440 K on cooling, have been explored through X-ray four-circle diffraction, magnetic, and transport measurements. A successive monoclinic (C2/m)-orthorhombic transition appears at about 500 K. The crystal structure at 514 K has been determined with R ‫؍‬ 0.040 and R w ‫؍‬ 0.038 for 1027 independent reflections, where the space group is Cmcm with lattice constants a ‫؍‬ 3.798(2) A > , b ‫؍‬ 9.846(3) A > , and c ‫؍‬ 9.988(4) A > , and Z ‫؍‬ 4. The structure is basically built up of a linkage of distorted TiO 6 octahedra and is of a pseudobrookite type. Each effective Ti valence is nearly equal to an average value. These characteristics are nearly consistent with magnetic and transport properties. Ti 3 O 5 in the orthorhombic phase is like a highly correlated metal.