Information card for entry 1565826

Structure parameters

• Formula: K2 Mg2 O12 S3
• Calculated formula: K2 Mg2 O12 S3
• Title of publication: Tracing electron density changes in langbeinite under pressure
• Authors of publication: Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof
• Journal of publication: IUCrJ
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 146 - 162
• a: 9.91895 ± 0.00002 Å
• b: 9.91895 ± 0.00002 Å
• c: 9.91895 ± 0.00002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 975.882 ± 0.003 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No