Information card for entry 4512562

Structure parameters

• Formula: O10 Ti6
• Calculated formula: O10 Ti6
• Title of publication: Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway
• Authors of publication: Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 653
• a: 9.9651 ± 0.0007 Å
• b: 5.0604 ± 0.0004 Å
• c: 7.2114 ± 0.0005 Å
• α: 90°
• β: 109.332 ± 0.0009°
• γ: 90°
• Cell volume: 343.15 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 2
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.0148
• RFsqd: 0.01487
• Residual factor R(I) for significantly intense reflections: 0.02483
• Goodness-of-fit parameter for all reflections: 1.3629
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No