Information card for entry 1551314

Structure parameters

• Chemical name: iron (II,III) oxide
• Formula: Fe4 O5
• Calculated formula: Fe4 O5
• Title of publication: Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation
• Authors of publication: Sergey V. Ovsyannikov; Maxim Bykov; Elena Bykova; Denis P. Kozlenko; Alexander A. Tsirlin; Alexander E. Karkin; Vladimir V. Shchennikov; Sergey E. Kichanov; Huiyang Gou; Artem M. Abakumov; Ricardo Egoavil; Johan Verbeeck; Catherine McCammon; Vadim Dyadkin; Dmitry Chernyshov; Sander van Smaalen; Leonid S. Dubrovinsky
• Journal of publication: Nature Chemistry
• Year of publication: 2016
• Journal volume: 8
• Pages of publication: 501 - 508
• a: 2.861 ± 0.0004 Å
• b: 9.8123 ± 0.0005 Å
• c: 12.5425 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 352.11 ± 0.06 ų
• Cell temperature: 4 K
• Ambient diffraction temperature: 4 K
• Number of distinct elements: 2
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1 (c,2*a+c,b)
• Hall space group symbol: -P 2yb (-1/2*x+z,1/2*x,y)
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for significantly intense reflections: 4.27
• Goodness-of-fit parameter for all reflections included in the refinement: 3.62
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.68884 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No