Analysis Report Data Files Data file 1 : D:\USER-DOCUMENT\School of Science\zhao mingshu\Huangguanliang\Topas-Hgl\LiFe0.2Mn0.8PO4\3-8-refinement.raw Global R-Values Rexp : 1.11 Rwp : 1.28 Rp : 1.01 GOF : 1.16 Rexp`: 8.94 Rwp`: 10.34 Rp` : 15.45 DW : 1.45 File 1 : "D:\USER-DOCUMENT\School of Science\zhao mingshu\Huangguanliang\Topas-Hgl\LiFe0.2Mn0.8PO4\3-8-refinement.raw" Range Number : 1 R-Values Rexp : 1.11 Rwp : 1.28 Rp : 1.01 GOF : 1.16 Rexp`: 8.94 Rwp`: 10.34 Rp` : 15.45 DW : 1.45 Quantitative Analysis - Rietveld Phase 1 : Structure 100.000 % Background Chebychev polynomial, Coefficient 0 7690.734 1 -975.765 2 489.9694 3 -195.154 4 77.88714 5 -14.45901 Instrument Primary radius (mm) 217.5 Secondary radius (mm) 217.5 Linear PSD 2Th angular range (°) 3 FDS angle (°) 0.5 Corrections Zero error 0.04525043 LP Factor 26.4 Structure 1 Phase name Structure R-Bragg 0.302 Spacegroup Pnma Scale 0.0033187411 Cell Mass 629.218 Cell Volume (Å^3) 300.07368 Wt% - Rietveld 100.000 Crystallite Size Cry size Lorentzian (nm) 65.1 Crystal Linear Absorption Coeff. (1/cm) 419.637 Crystal Density (g/cm^3) 3.482 PVII peak type FWHM = a + b/Cos(Th) + c Tan(Th) a 0.0001 b 0.00638423 c 0.105796 Exponent m = 0.6+ma+mb/Cos(Th)+mc/Tan(Th) ma 0.2458963 mb 0.8235846 mc 0.0416453 Lattice parameters a (Å) 10.4213748 b (Å) 6.0818035 c (Å) 4.7344606 Site Np x y z Atom Occ Beq Li1 4 0.00000 0.00000 0.00000 Li+1 1 1 Fe1 4 0.28195 0.25000 0.97118 Fe+2 0.5 0.9275 Mn+2 0.5 1.062 P1 4 0.09257 0.25000 0.40958 P 1 0.8263 O1 4 0.09852 0.25000 0.74022 O-2 1 1.784 O2 4 0.45245 0.25000 0.21101 O-2 1 0.3727 O3 8 0.16237 0.04300 0.27475 O-2 1 1.473