Information card for entry 7246355

Structure parameters

• Formula: H6 La3 Na3 O27 S6
• Calculated formula: La3 Na3 O27 S6
• Title of publication: Highlights on the reversible nonpolar-to-polar <i>P</i>3₁21-<i>P</i>3₁ phase transition at low temperature in NaLa(SO₄)₂·H₂O: mechanism and piezoelectric properties.
• Authors of publication: Azeroual, H.; Bantignies, J.-L.; Maurin, D.; Granier, D.; Haines, J.; Cambon, O.; Hermet, P.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 8168 - 8179
• a: 7.0227 ± 0.0005 Å
• b: 7.0227 ± 0.0005 Å
• c: 12.945 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 552.89 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.015
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No