Information card for entry 2243991

Structure parameters

• Chemical name: Potassium sodium titanium iron tris(phosphate)
• Formula: Fe0.74 K0.97 Na1.03 O12 P3 Ti1.26
• Calculated formula: Fe0.74 K0.97 Na1.03 O12 P3 Ti1.26
• Title of publication: Mixed-metal phosphates K~1.64~Na~0.36~TiFe(PO~4~)~3~ and K~0.97~Na~1.03~Ti~1.26~Fe~0.74~(PO~4~)~3~ with a langbeinite framework
• Authors of publication: Zatovsky, Igor V.; Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nickolai S.; Butenko, Denis S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 1299 - 1302
• a: 9.7945 ± 0.0001 Å
• b: 9.7945 ± 0.0001 Å
• c: 9.7945 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 939.608 ± 0.017 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0165
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes