Information card for entry 1564527

Structure parameters

• Formula: Ca6 Cr2 H64 O50 S3
• Calculated formula: Ca6 Cr2 H60 O51 S3
• Title of publication: Natural bentorite-Cr3+ derivate of ettringite: determination of crystal structure
• Authors of publication: Yurii V. Seryotkin; Ella V. Sokol; Svetlana N. Kokh; Victor V. Sharygin
• Journal of publication: Physics and Chemistry of Minerals
• Year of publication: 2019
• Journal volume: 46
• Pages of publication: 553 - 570
• a: 11.1615 ± 0.00005 Å
• b: 11.1615 ± 0.00005 Å
• c: 21.63017 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2333.65 ± 0.03 ų
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• RFsqd: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 3.33
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.39996 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No