Information card for entry 2108215

Structure parameters

• Formula: Al16 F4.77 Mn24 O91.23 Si20.61
• Calculated formula: Al16 F4.8 Mn24 O91.2 Si20.88
• Title of publication: Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets
• Authors of publication: Antao, Sytle M.; Cruickshank, Laura A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 104 - 114
• a: 11.6446 ± 0.0002 Å
• b: 11.6446 ± 0.0002 Å
• c: 11.6548 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580.35 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes