Information card for entry 4118669

Structure parameters

• Formula: Cr H12 N3 O8
• Calculated formula: Cr N3 O8
• SMILES: [Cr]1234(OO1)(OO2)(OO3)OO4.[NH4+].[NH4+].[NH4+]
• Title of publication: Elucidating the Mechanism of Multiferroicity in (NH4)3Cr(O2)4 and Its Tailoring by Alkali Metal Substitution
• Authors of publication: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Naresh S. Dalal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15953 - 15962
• a: 10 ± 2 Å
• b: 10.0176 ± 0.001 Å
• c: 8.0201 ± 0.001 Å
• α: 90.013 ± 0.001°
• β: 90.008 ± 0.003°
• γ: 90.004 ± 0.002°
• Cell volume: 803 ± 16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No