Information card for entry 1567919

Structure parameters

• Formula: As2 Ba H2 O9 Zn2
• Calculated formula: As2 Ba O9 Zn2
• Title of publication: Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O
• Authors of publication: Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara
• Journal of publication: Minerals
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 1262
• a: 5.2986 ± 0.0003 Å
• b: 10.3948 ± 0.0006 Å
• c: 8.0462 ± 0.0005 Å
• α: 90°
• β: 95.263 ± 0.006°
• γ: 90°
• Cell volume: 441.3 ± 0.05 ų
• Cell temperature: 523 ± 2 K
• Ambient diffraction temperature: 523 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No