Analysis Report Data Files Data file 1 : D:\USER-DOCUMENT\School of Science\zhao mingshu\Huangguanliang\20120327\3-7-refinement.raw Global R-Values Rexp : 1.06 Rwp : 1.19 Rp : 0.94 GOF : 1.12 Rexp`: 9.95 Rwp`: 11.16 Rp` : 17.25 DW : 1.62 File 1 : "D:\USER-DOCUMENT\School of Science\zhao mingshu\Huangguanliang\20120327\3-7-refinement.raw" Range Number : 1 R-Values Rexp : 1.06 Rwp : 1.19 Rp : 0.94 GOF : 1.12 Rexp`: 9.95 Rwp`: 11.16 Rp` : 17.25 DW : 1.62 Quantitative Analysis - Rietveld Phase 1 : Structure 100.000 % Background Chebychev polynomial, Coefficient 0 8522.397 1 -767.2614 2 388.6298 3 -162.8921 4 37.17978 5 -0.8322696 Instrument Primary radius (mm) 217.5 Secondary radius (mm) 217.5 Linear PSD 2Th angular range (°) 3 FDS angle (°) 0.5 Corrections Zero error 0.07950217 LP Factor 26.4 Structure 1 Phase name Structure R-Bragg 0.442 Spacegroup Pnma Scale 0.00303814553 Cell Mass 629.218 Cell Volume (Å^3) 297.81071 Wt% - Rietveld 100.000 Crystallite Size Cry size Lorentzian (nm) 131.0 Crystal Linear Absorption Coeff. (1/cm) 422.826 Crystal Density (g/cm^3) 3.508 PVII peak type FWHM = a + b/Cos(Th) + c Tan(Th) a 0.02045157 b 0.02034056 c 0.08879829 Exponent m = 0.6+ma+mb/Cos(Th)+mc/Tan(Th) ma 0.0784051 mb 0.6071926 mc 0.0001 Lattice parameters a (Å) 10.3984272 b (Å) 6.0616019 c (Å) 4.7248197 Site Np x y z Atom Occ Beq Li1 4 0.00000 0.00000 0.00000 Li+1 1 1 Fe1 4 0.28208 0.25000 0.96996 Fe+2 0.5 1 Mn+2 0.5 1 P1 4 0.09294 0.25000 0.40659 P 1 1 O1 4 0.09641 0.25000 0.73549 O-2 1 1 O2 4 0.44909 0.25000 0.21287 O-2 1 1 O3 8 0.16051 0.04325 0.27611 O-2 1 1