Information card for entry 1561592

Structure parameters

• Formula: Ca Mn0.5 O12 P3 Zr1.5
• Calculated formula: Ca0.232 Mn0.182 O12 P1.5 Zr0.5
• Title of publication: Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate
• Authors of publication: Orlova, Maria; Perfler, Lukas; Tribus, Martina; Salnikov, Petr; Glorieux, Benoit; Orlova, Albina
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 235
• Pages of publication: 36 - 42
• a: 8.785 ± 0.0002 Å
• b: 8.785 ± 0.0002 Å
• c: 22.6496 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1513.82 ± 0.05 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor R(I) for significantly intense reflections: 3.3264
• Method of determination: powder diffraction
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No