Information card for entry 2102863

Structure parameters

• Formula: K1.56 Mg0.78 O16 Ti7.22
• Calculated formula: K1.556 Mg0.776 O16 Ti7.2232
• Title of publication: Probability density analyses of guest ions in hollandite A~x~Mg~x/2~Ti~8-x/2~O~16~ (A=K, Rb)
• Authors of publication: Michiue, Yuichi
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: 577 - 583
• a: 10.1541 ± 0.0011 Å
• b: 10.1541 ± 0.0011 Å
• c: 2.9735 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 306.58 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 2.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No