Information card for entry 7250487

Structure parameters

• Formula: Fe3 H2 Na0.69 O12 P3
• Calculated formula: Fe3 H2 Na0.686 O12 P3
• Title of publication: Unraveling the transition from alluaudite to triphylite phases during LiFePO4 hydrothermal synthesis
• Authors of publication: Kurashkina, Anna A.; Alekseeva, Anastasia M.; Soboleva, Iana S.; Sobolev, Alexey V.; Mironov, Andrey V.; Marikutsa, Artem V.; Mikheev, Ivan V.; Shatalova, Tatyana B.; Presniakov, Igor A.; Drozhzhin, Oleg A.; Antipov, Evgeny V.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 4209 - 4220
• a: 11.9917 ± 0.0008 Å
• b: 12.308 ± 0.0009 Å
• c: 6.4995 ± 0.0004 Å
• α: 90°
• β: 114.554 ± 0.002°
• γ: 90°
• Cell volume: 872.54 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for all reflections: 1.2
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.789 Å
• Diffraction radiation type: CoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No