Information card for entry 2312876

Structure parameters

• Mineral name: mannardite
• Formula: Ba1.16 O16 Ti8
• Calculated formula: Ba1.156 O16 Ti8
• Title of publication: Coupled intra- and inter-tunnel short-range order in hollandites: a case study of mannardite Ba[(Ti⁴⁺)₆(V³⁺)₂]O₁₆.
• Authors of publication: Schmidt, Ella Mara; Morana, Marta; Biagioni, Cristian; Minelli, Arianna; Bosak, Alexei; Lepore, Giovanni Orazio
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 4
• Pages of publication: 439 - 446
• a: 10.1506 ± 0.0005 Å
• b: 10.1506 ± 0.0005 Å
• c: 2.9556 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 304.53 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No