Information card for entry 2108242

Structure parameters

• Mineral name: bytownite
• Formula: Al1.75 Ca0.75 Na0.25 O8 Si2.25
• Calculated formula: Al1.74995 Ca0.75005 Na0.25005 O8 Si2.25005
• Title of publication: Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study
• Authors of publication: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 8.1662 ± 0.0001 Å
• b: 12.868 ± 0.0001 Å
• c: 14.1927 ± 0.0001 Å
• α: 93.4772 ± 0.001°
• β: 116.143 ± 0.001°
• γ: 90.6664 ± 0.0006°
• Cell volume: 1335.14 ± 0.02 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: I -1
• Hall space group symbol: -P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for significantly intense reflections: 2.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes