Information card for entry 2021884

Structure parameters

• Formula: H3.94 Li N0.984 O4 S Yb0.005
• Calculated formula: H3.938 Li N0.9845 O4 S Yb0.00525
• Title of publication: Structures and thermal stability of the α-LiNH4SO4 polytypes doped with Er3+ and Yb3+
• Authors of publication: Sabalisck, N. P.; Guzmán-Afonso, C.; González-Silgo, C.; Torres, M. E.; Pasán, J.; del-Castillo, J.; Ramos-Hernández, D.; Hernández-Suárez, A.; Mestres, L.
• Journal of publication: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 122
• a: 17.856 ± 0.008 Å
• b: 5.008 ± 0.003 Å
• c: 10.264 ± 0.013 Å
• α: 90°
• β: 106.46 ± 0.05°
• γ: 90°
• Cell volume: 880.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No