Information card for entry 7231631

Structure parameters

• Formula: H4 Na2 O13 Si4 Sn
• Calculated formula: H4 Na2 O13 Si4 Sn
• Title of publication: Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase
• Authors of publication: Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 46
• Pages of publication: 7479
• a: 8.7892 ± 0.0003 Å
• b: 7.4533 ± 0.0002 Å
• c: 16.4801 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1079.59 ± 0.05 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8506
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No