Information card for entry 1563787

Structure parameters

• Formula: K0.1 Mg2 Na1.9 O12 S3
• Calculated formula: K0.104889 Mg2 Na1.89511 O12 S3
• Title of publication: Synthesis and structures of sodium containing K2-xNaxMg2(SO4)3 langbeinite phases
• Authors of publication: Trussov, I.A.; Driscoll, L.L.; Male, L.L.; Sanjuan, M.L.; Orera, A.; Slater, P.R.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2019
• Journal volume: 276
• Pages of publication: 37 - 46
• a: 9.5655 ± 0.0001 Å
• b: 28.3065 ± 0.0003 Å
• c: 30.0116 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8126.12 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No