Information card for entry 4500814

Structure parameters

• Formula: C5 H15 Ga N2 O8 P2
• Calculated formula: C5 H15 Ga N2 O8 P2
• Title of publication: Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates
• Authors of publication: Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 3065
• a: 8.899 ± 0.004 Å
• b: 15.087 ± 0.007 Å
• c: 8.923 ± 0.004 Å
• α: 90°
• β: 90.114 ± 0.007°
• γ: 90°
• Cell volume: 1198 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections: 0.1494
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No