Information card for entry 2013841

Structure parameters

• Common name: ammonium cadmium selenite selenate
• Chemical name: tetraammonium cadmium dihydrogenselenite(IV) diselenate(VI)
• Formula: Cd H18 N4 O14 Se4
• Calculated formula: Cd H18 N4 O14 Se4
• SMILES: [Cd]1(O[Se]([O-])(=O)=O)(O[Se]([O-])(=O)=O)[O]=[Se](O)O[Cd]([O]=[Se](O1)O)(O[Se]([O-])(=O)=O)(O[Se]([O-])(=O)=O)(O[Se](=O)O)O[Se](=O)O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: (NH~4~)~4~Cd(HSe^IV^O~3~)~2~(Se^VI^O~4~)~2~: a new structure type with kröhnkite-like chains
• Authors of publication: Kolitsch, Uwe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: i3 - i6
• a: 5.791 ± 0.001 Å
• b: 7.411 ± 0.001 Å
• c: 10.736 ± 0.002 Å
• α: 90.05 ± 0.03°
• β: 105.02 ± 0.03°
• γ: 112.61 ± 0.03°
• Cell volume: 408.2 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes