File 1 : Z:\instruments-archive\XRD-current\Austin\MCTeCO\ML_Westley_20240202_2_AMF-CTO_T2_dried+Si_std_2hr_last_check.raw
Range Number :  1

R-Values 

Rexp : 1.20    Rwp : 1.66     Rp  : 1.28   GOF : 1.38
Rexp`: 10.84   Rwp`: 15.00    Rp` : 23.26  DW  : 1.18

Quantitative Analysis - Rietveld 
   Phase 1  : Structure                      73.6(4) %
   Phase 2  : Structure                      26.4(4) %

Background 
   Chebychev polynomial, Coefficient  0      6636(3)
                                      1      -3649(5)
                                      2      343(5)
                                      3      579(5)
                                      4      13(5)
                                      5      -578(4)
                                      6      478(4)
                                      7      -92(4)
                                      8      -143(4)
                                      9      63(4)
                                      10     10(4)

Instrument 
   Primary radius (mm)                       200.5
   Secondary radius (mm)                     200.5
   Linear PSD 2Th angular range (°)          3
      FDS angle (°)                          0.6

Corrections 
   Specimen displacement                     0.118(5)
   LP Factor                                 0

Miscellaneous 
   Convolution Steps                         3
   Start X                                   12
   Finish X                                  60

Structure 1 
   Phase name                                Structure
   R-Bragg                                   0.363
   Spacegroup                                C2/c
   Scale                                       0.0000608(4)
   Cell Mass                                 2412(6)
   Cell Volume (Ã…^3)                         758.20(3)
   Wt% - Rietveld                            73.6(4)
   Double-Voigt|Approach 
      Cry size Lorentzian                    151(4)
      k:  1  LVol-IB (nm)                    96(4)
      k:  0.89  LVol-FWHM (nm)               135(4)
   Crystal Linear Absorption Coeff. (1/cm)   1178.39(15)
   Crystal Density (g/cm^3)                  5.283(13)
   Preferred Orientation Spherical Harmonics 
      Order                                  6
      y00                                    1
      y20                                    0.123(15)
      y22m                                   0.033(12)
      y22p                                   0.009(14)
      y40                                    0.096(18)
      y42m                                   -0.011(11)
      y42p                                   -0.083(13)
      y44m                                   -0.054(12)
      y44p                                   0.04(2)
      y60                                    0.04(2)
      y62m                                   0.106(13)
      y62p                                   -0.051(13)
      y64m                                   -0.076(13)
      y64p                                   0.161(15)
      y66m                                   0.077(18)
      y66p                                   -0.036(17)
   Lattice parameters
      a (Ã…)                                  12.6792(3)
      b (Ã…)                                  5.20810(13)
      c (Ã…)                                  11.6251(3)
      beta  (°)                              99.003(2)

Site  Np    x           y           z         Atom Occ       Beq  
Co1    8   0.2731(7)  0.311(2)    0.1484(8)   Co   0.930(11) 1.6(4)
Te1    4   0.50000    0.6613(11)  0.25000     Te   0.962(7)  1.8(3)
Te2    8   0.3632(3)  0.3086(7)   0.4440(4)   Te   0.959(5)  1.9(2)
O1     8   0.422(3)   0.463(7)    0.160(3)    O    1.00(4)   0.2(13)
O2     8   0.376(2)   0.609(6)    0.384(3)    O    1.00(4)   0.2(12)
O3     8   0.300(3)   0.139(8)    0.314(3)    O    0.95(4)   1.9(12)
O4     8   0.273(3)   0.482(6)    0.481(3)    O    0.98(5)   1.1(16)


Structure 2 
   Phase name                                Structure
   R-Bragg                                   0.483
   Spacegroup                                Fd-3m
   Scale                                       0.00111(2)
   Cell Mass                                 224.684
   Cell Volume (Ã…^3)                         160.14989
   Wt% - Rietveld                            26.4(4)
   Double-Voigt|Approach 
      Cry size Lorentzian                    470(30)
      k:  1  LVol-IB (nm)                    299(18)
      k:  0.89  LVol-FWHM (nm)               420(30)
   Crystal Linear Absorption Coeff. (1/cm)   148.024
   Crystal Density (g/cm^3)                  2.330
   Preferred Orientation Spherical Harmonics 
      Order                                  4
      k00                                    1
      k41                                    -0.32(4)
   Lattice parameters
      a (Ã…)                                  5.4305300

Site  Np    x           y           z         Atom Occ       Beq  
Si1    8   0.00000    0.00000     0.00000     Si   1         3.1(8)