Information card for entry 2236693

Structure parameters

• Common name: robertsite
• Chemical name: Dicalcium trimanganese dioxide tris(phosphate) trihydrate
• Formula: Ca2 H6 Mn3 O17 P3
• Calculated formula: Ca2 Mn3 O17 P3
• Title of publication: Robertsite, Ca~2~Mn^III^~3~O~2~(PO~4~)~3~·3H~2~O
• Authors of publication: Andrade, Marcelo B.; Morrison, Shaunna M.; Di Domizio, Adrien J.; Feinglos, Mark N.; Downs, Robert T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: i74 - i75
• a: 17.34 ± 0.0009 Å
• b: 19.4464 ± 0.001 Å
• c: 11.2787 ± 0.0006 Å
• α: 90°
• β: 96.634 ± 0.003°
• γ: 90°
• Cell volume: 3777.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: A 1 a 1
• Hall space group symbol: A -2ya
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes