Information card for entry 7034669

Structure parameters

• Formula: F12 H21.1 K2.97 Mn6 Na8 O41.03 P8 Ti
• Calculated formula: F12 K2.964 Mn6 Na8 O41.0384 P8 Ti
• Title of publication: Synthesis and characterization of mixed-valence manganese fluorophosphate and analogues with clathrate-like structures: Mn(III)6F12(PO3(OH))8[Na8(Kx(H3O)4-x(H2O)2)M(IV)(OH)6] (M(IV) = Mn, Ti, Ge).
• Authors of publication: Ren, Wei-Jian; Wang, Jing-Quan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7960 - 7966
• a: 16.0001 ± 0.0002 Å
• b: 16.0001 ± 0.0002 Å
• c: 16.0001 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4096.08 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 202
• Hermann-Mauguin space group symbol: F m -3
• Hall space group symbol: -F 2 2 3
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No