Information card for entry 1567916

Structure parameters

• Formula: As4 Ba2 O16 Zn4
• Calculated formula: As4 Ba2 O16 Zn4
• 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: 8.8073 ± 0.0011 Å
• b: 9.9861 ± 0.0011 Å
• c: 9.406 ± 0.0011 Å
• α: 90°
• β: 91.471 ± 0.01°
• γ: 90°
• Cell volume: 826.99 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2347
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No