Information card for entry 4500812

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: 8.451 ± 0.0019 Å
• b: 8.777 ± 0.002 Å
• c: 8.928 ± 0.002 Å
• α: 92.195 ± 0.003°
• β: 95.709 ± 0.003°
• γ: 98.509 ± 0.003°
• Cell volume: 650.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No