Information card for entry 1505050

Structure parameters

• Formula: Ca1.86 Mg0.18 O32 Si16
• Calculated formula: Ca1.842 Mg0.168 O32 Si16
• Title of publication: In Situ X-ray Single-Crystal Study on the Dehydration Mechanism in the Monoclinic Polytype of Tschernichite, the Mineral Analog of Zeolite Beta
• Authors of publication: Alberti, A.; Cruciani, G.; Galli, E.; Millini, R.; Zanardi, S.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 12
• Pages of publication: 4503
• a: 17.829 ± 0.002 Å
• b: 17.828 ± 0.003 Å
• c: 14.671 ± 0.002 Å
• α: 90°
• β: 114.22 ± 0.01°
• γ: 90°
• Cell volume: 4252.8 ± 1.1 ų
• Cell temperature: 523 ± 2 K
• Ambient diffraction temperature: 523 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2877
• Residual factor for significantly intense reflections: 0.1492
• Weighted residual factors for significantly intense reflections: 0.3536
• Weighted residual factors for all reflections included in the refinement: 0.4562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No