Information card for entry 2108244

Structure parameters

• Mineral name: labradorite
• Formula: Al1.6 Ca0.6 Na0.4 O8 Si2.4
• Calculated formula: Al3.866 Ca0.789 O8
• 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: 8.1602 ± 0.0001 Å
• b: 12.8612 ± 0.0001 Å
• c: 14.1975 ± 0.0001 Å
• α: 93.5348 ± 0.0011°
• β: 116.118 ± 0.0011°
• γ: 90.4334 ± 0.0008°
• Cell volume: 1334.33 ± 0.03 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: 0.0497
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for significantly intense reflections: 1.63
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes