Information card for entry 1564528

Structure parameters

• Mineral name: bentorite
• Formula: C0.499 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75
• Calculated formula: C0.5 H60 Al0.387 Ca6 Cr1.613 O49.725 S2.75
• Title of publication: Raman Spectroscopy and Single-Crystal High-Temperature Investigations of Bentorite, Ca6Cr2(SO4)3(OH)12·26H2O
• Authors of publication: Juroszek, Rafał; Krüger, Biljana; Galuskina, Irina; Krüger, Hannes; Tribus, Martina; Kürsten, Christian
• Journal of publication: Minerals
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 38
• a: 11.1927 ± 0.0005 Å
• b: 11.1927 ± 0.0005 Å
• c: 21.7121 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2355.6 ± 0.18 ų
• Cell temperature: 293 K
• Number of distinct elements: 7
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for significantly intense reflections: 2.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.91
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No